4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

C14H24N4OS — CID 80817483

IUPAC4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCCC2OC)nc(SC)n1
InChIInChI=1S/C14H24N4OS/c1-4-8-15-12-9-13(18-14(17-12)20-3)16-10-6-5-7-11(10)19-2/h9-11H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyZVPPWQAQXGNGJM-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.00
Rot. Bonds7

About 4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80817483) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80817483
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCCC2OC)nc(SC)n1
InChIInChI=1S/C14H24N4OS/c1-4-8-15-12-9-13(18-14(17-12)20-3)16-10-6-5-7-11(10)19-2/h9-11H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyZVPPWQAQXGNGJM-UHFFFAOYSA-N
XLogP3.00
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817326
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826651
6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771675
4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80784078
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
4-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80784747
N-(2-methoxycyclopentyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240332
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine
CID 80817558
5-fluoro-4-N-(2-methoxycyclopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 80817323

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (CID 80817483) is 4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC2CCCC2OC)nc(SC)n1.
What is the InChIKey of 4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZVPPWQAQXGNGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-8-15-12-9-13(18-14(17-12)20-3)16-10-6-5-7-11(10)19-2/h9-11H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 296.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80817483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).