4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

C14H20N4S — CID 103324744

IUPAC4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CCCC2)c2cc(C)sc2n1
InChIInChI=1S/C14H20N4S/c1-9-7-11-12(16-8-10-5-3-4-6-10)17-14(15-2)18-13(11)19-9/h7,10H,3-6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyHIGWAKZQCHGDTJ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.64
Rot. Bonds4

About 4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324744) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324744
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CCCC2)c2cc(C)sc2n1
InChIInChI=1S/C14H20N4S/c1-9-7-11-12(16-8-10-5-3-4-6-10)17-14(15-2)18-13(11)19-9/h7,10H,3-6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyHIGWAKZQCHGDTJ-UHFFFAOYSA-N
XLogP3.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169
[2-[[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328663
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
4-N-(2-cyclopentylethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325352
6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327900
2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 107415805
6-methyl-4-N-[(4-methylcyclohexyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327663
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
2-N,6-dimethyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325220
2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol
CID 103328768
5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 107324255

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324744) is 4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NCC2CCCC2)c2cc(C)sc2n1.
What is the InChIKey of 4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HIGWAKZQCHGDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-9-7-11-12(16-8-10-5-3-4-6-10)17-14(15-2)18-13(11)19-9/h7,10H,3-6,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).