4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

C14H25N5S — CID 80784078

IUPAC4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCN(C)CC2)nc(SC)n1
InChIInChI=1S/C14H25N5S/c1-4-7-15-12-10-13(18-14(17-12)20-3)16-11-5-8-19(2)9-6-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyOMRGMVBTHCHQLJ-UHFFFAOYSA-N
MW295.46 g/mol
LogP2.53
Rot. Bonds6

About 4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80784078) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is 4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80784078
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCN(C)CC2)nc(SC)n1
InChIInChI=1S/C14H25N5S/c1-4-7-15-12-10-13(18-14(17-12)20-3)16-11-5-8-19(2)9-6-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyOMRGMVBTHCHQLJ-UHFFFAOYSA-N
XLogP2.53
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1,1-dioxothiolan-3-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80784747
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
6-N-methyl-4-N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80802965
2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80807984
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826651
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114517029
4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80817483
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890
6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80791344
N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80835468

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (CID 80784078) is 4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC2CCN(C)CC2)nc(SC)n1.
What is the InChIKey of 4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is OMRGMVBTHCHQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-4-7-15-12-10-13(18-14(17-12)20-3)16-11-5-8-19(2)9-6-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 295.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80784078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).