2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine

C23H31N7S — CID 168953841

IUPAC2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCN1CCN(Cc2ccc(Nc3nc(NC4(C)CC4)c4c(C)csc4n3)nc2)CC1
InChIInChI=1S/C23H31N7S/c1-4-29-9-11-30(12-10-29)14-17-5-6-18(24-13-17)25-22-26-20(28-23(3)7-8-23)19-16(2)15-31-21(19)27-22/h5-6,13,15H,4,7-12,14H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyWCBGMZZHTSQFDW-UHFFFAOYSA-N
MW437.62 g/mol
LogP4.24
Rot. Bonds7

About 2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 168953841) has the molecular formula C23H31N7S and a molecular weight of 437.62 g/mol. Its IUPAC name is 2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID168953841
Molecular FormulaC23H31N7S
Molecular Weight437.62 g/mol
Exact Mass437.24
IUPAC Name2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCN1CCN(Cc2ccc(Nc3nc(NC4(C)CC4)c4c(C)csc4n3)nc2)CC1
InChIInChI=1S/C23H31N7S/c1-4-29-9-11-30(12-10-29)14-17-5-6-18(24-13-17)25-22-26-20(28-23(3)7-8-23)19-16(2)15-31-21(19)27-22/h5-6,13,15H,4,7-12,14H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyWCBGMZZHTSQFDW-UHFFFAOYSA-N
XLogP4.24
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.62
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine
CID 172866624
5-methyl-4-N-(1-methylcyclopropyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 168953855
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-pyridin-2-ylpyrimidin-2-amine
CID 175929946
4-(3-cyclopropyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 130310821
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine
CID 129202790
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine
CID 129202792
7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 166981731
4-[[5-chloro-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
CID 165385630
ethane;N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-4-methyl-3-propan-2-yl-4,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2,5,8,10-pentaen-11-amine
CID 142345747
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CID 176914801
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 164709716

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 168953841) is 2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCN1CCN(Cc2ccc(Nc3nc(NC4(C)CC4)c4c(C)csc4n3)nc2)CC1.
What is the InChIKey of 2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WCBGMZZHTSQFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7S/c1-4-29-9-11-30(12-10-29)14-17-5-6-18(24-13-17)25-22-26-20(28-23(3)7-8-23)19-16(2)15-31-21(19)27-22/h5-6,13,15H,4,7-12,14H2,1-3H3,(H2,24,25,26,27,28).
What are the key properties of 2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 437.62 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-methyl-4-N-(1-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 168953841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).