2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine

C12H17N7S — CID 80885968

IUPAC2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1Sc1nc(N)cc(N)n1
InChIInChI=1S/C12H17N7S/c1-3-4-7-10(15-2)16-6-17-11(7)20-12-18-8(13)5-9(14)19-12/h5-6H,3-4H2,1-2H3,(H,15,16,17)(H4,13,14,18,19)
InChIKeyIFNNORDHLFHOKQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.58
Rot. Bonds5

About 2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine

2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine (PubChem CID 80885968) has the molecular formula C12H17N7S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
PubChem CID80885968
Molecular FormulaC12H17N7S
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC Name2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1Sc1nc(N)cc(N)n1
InChIInChI=1S/C12H17N7S/c1-3-4-7-10(15-2)16-6-17-11(7)20-12-18-8(13)5-9(14)19-12/h5-6H,3-4H2,1-2H3,(H,15,16,17)(H4,13,14,18,19)
InChIKeyIFNNORDHLFHOKQ-UHFFFAOYSA-N
XLogP1.58
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80923227
2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80885324
N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80886227
6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine
CID 80884347
N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine
CID 80883518
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
N-methyl-5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80883794
6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 80828380
6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
CID 80864229
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
CID 107784869
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80978525

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine (CID 80885968) is 2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1Sc1nc(N)cc(N)n1.
What is the InChIKey of 2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The InChIKey is IFNNORDHLFHOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7S/c1-3-4-7-10(15-2)16-6-17-11(7)20-12-18-8(13)5-9(14)19-12/h5-6H,3-4H2,1-2H3,(H,15,16,17)(H4,13,14,18,19).
What are the key properties of 2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine has a molecular weight of 291.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80885968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).