4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C15H18N4S2 — CID 103324912

IUPAC4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)Cc2cccs2)c2ccsc2n1
InChIInChI=1S/C15H18N4S2/c1-3-7-16-15-17-13(12-6-9-21-14(12)18-15)19(2)10-11-5-4-8-20-11/h4-6,8-9H,3,7,10H2,1-2H3,(H,16,17,18)
InChIKeyYIPHTYAHCBRWAS-UHFFFAOYSA-N
MW318.47 g/mol
LogP4.21
Rot. Bonds6

About 4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324912) has the molecular formula C15H18N4S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324912
Molecular FormulaC15H18N4S2
Molecular Weight318.47 g/mol
Exact Mass318.10
IUPAC Name4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)Cc2cccs2)c2ccsc2n1
InChIInChI=1S/C15H18N4S2/c1-3-7-16-15-17-13(12-6-9-21-14(12)18-15)19(2)10-11-5-4-8-20-11/h4-6,8-9H,3,7,10H2,1-2H3,(H,16,17,18)
InChIKeyYIPHTYAHCBRWAS-UHFFFAOYSA-N
XLogP4.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327411
2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324519
6-chloro-2-N-methyl-4-N-propyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80781480
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329656
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324924
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781911
4-N-ethyl-5-fluoro-2-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80799062
4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325749
4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327415
2-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327565
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
4-N-(3-ethylpentan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328432

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324912) is 4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(N(C)Cc2cccs2)c2ccsc2n1.
What is the InChIKey of 4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YIPHTYAHCBRWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S2/c1-3-7-16-15-17-13(12-6-9-21-14(12)18-15)19(2)10-11-5-4-8-20-11/h4-6,8-9H,3,7,10H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 318.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).