N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C15H23N5S — CID 62183290

IUPACN-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCN(C(C)C)CC2)nc2sccc12
InChIInChI=1S/C15H23N5S/c1-11(2)20-7-5-19(6-8-20)10-13-17-14(16-3)12-4-9-21-15(12)18-13/h4,9,11H,5-8,10H2,1-3H3,(H,16,17,18)
InChIKeyWSXKVSYCCYDDKP-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.26
Rot. Bonds4

About N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62183290) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62183290
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCN(C(C)C)CC2)nc2sccc12
InChIInChI=1S/C15H23N5S/c1-11(2)20-7-5-19(6-8-20)10-13-17-14(16-3)12-4-9-21-15(12)18-13/h4,9,11H,5-8,10H2,1-3H3,(H,16,17,18)
InChIKeyWSXKVSYCCYDDKP-UHFFFAOYSA-N
XLogP2.26
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-{Thieno[2,3-d]pyrimidin-4-yl}piperazine
CID 16768198
4-Chloro-2-(piperazin-1-yl)thieno[2,3-d]pyrimidine
CID 46228434
N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 3469075
2-Methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 2139595
2-(4-{Thieno[2,3-d]pyrimidin-4-yl}piperazin-1-yl)ethan-1-ol
CID 2537688
N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 155529141
N,N-diethylthieno[2,3-d]pyrimidin-4-amine
CID 2808589
4-N,4-N-dimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylcyclohexane-1,4-diamine
CID 117826679
Thieno(2,3-d)pyrimidine, 4-(4-methyl-1-piperazinyl)-, hydrochloride
CID 216792
Thieno[2,3-d]pyrimidine-2,4-diamine
CID 14642747
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 31408948

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62183290) is N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CNc1nc(CN2CCN(C(C)C)CC2)nc2sccc12.
What is the InChIKey of N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WSXKVSYCCYDDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-11(2)20-7-5-19(6-8-20)10-13-17-14(16-3)12-4-9-21-15(12)18-13/h4,9,11H,5-8,10H2,1-3H3,(H,16,17,18).
What are the key properties of N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62183290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).