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

C20H25N7S — CID 168953846

IUPAC5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1csc2nc(Nc3ccc(N4CCNCC4)cn3)nc(NC3(C)CC3)c12
InChIInChI=1S/C20H25N7S/c1-13-12-28-18-16(13)17(26-20(2)5-6-20)24-19(25-18)23-15-4-3-14(11-22-15)27-9-7-21-8-10-27/h3-4,11-12,21H,5-10H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyYCIKOQZFXLBNCG-UHFFFAOYSA-N
MW395.54 g/mol
LogP3.51
Rot. Bonds5

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

5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 168953846) has the molecular formula C20H25N7S and a molecular weight of 395.54 g/mol. Its IUPAC name is 5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID168953846
Molecular FormulaC20H25N7S
Molecular Weight395.54 g/mol
Exact Mass395.19
IUPAC Name5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1csc2nc(Nc3ccc(N4CCNCC4)cn3)nc(NC3(C)CC3)c12
InChIInChI=1S/C20H25N7S/c1-13-12-28-18-16(13)17(26-20(2)5-6-20)24-19(25-18)23-15-4-3-14(11-22-15)27-9-7-21-8-10-27/h3-4,11-12,21H,5-10H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyYCIKOQZFXLBNCG-UHFFFAOYSA-N
XLogP3.51
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol
CID 10248532
4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
CID 10067549
4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 175064913
5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 141037394
N,N,4-trimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126559115
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 154939051
4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
CID 10063148
8-cyclopentyl-10-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300068
6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one
CID 138059460

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 168953846) is 5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine is Cc1csc2nc(Nc3ccc(N4CCNCC4)cn3)nc(NC3(C)CC3)c12.
What is the InChIKey of 5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YCIKOQZFXLBNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7S/c1-13-12-28-18-16(13)17(26-20(2)5-6-20)24-19(25-18)23-15-4-3-14(11-22-15)27-9-7-21-8-10-27/h3-4,11-12,21H,5-10H2,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine?
5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 395.54 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(1-methylcyclopropyl)-2-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 168953846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).