N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine

C13H15N7S — CID 80883518

IUPACN-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1Sc1ncnc2nc[nH]c12
InChIInChI=1S/C13H15N7S/c1-3-4-8-10(14-2)16-6-19-12(8)21-13-9-11(17-5-15-9)18-7-20-13/h5-7H,3-4H2,1-2H3,(H,14,16,19)(H,15,17,18,20)
InChIKeyVKYUVFDATCTEOP-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.29
Rot. Bonds5

About N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine

N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80883518) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine
PubChem CID80883518
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1Sc1ncnc2nc[nH]c12
InChIInChI=1S/C13H15N7S/c1-3-4-8-10(14-2)16-6-19-12(8)21-13-9-11(17-5-15-9)18-7-20-13/h5-7H,3-4H2,1-2H3,(H,14,16,19)(H,15,17,18,20)
InChIKeyVKYUVFDATCTEOP-UHFFFAOYSA-N
XLogP2.29
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80886227
2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80885968
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
N-methyl-5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80883794
N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 62255575
N-ethyl-5-methyl-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
CID 80892340
6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine
CID 80884347
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-dodecylsulfanyl-7H-purine
CID 3778984
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
CID 107784869
N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine
CID 62469468
N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774146

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine (CID 80883518) is N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine is CCCc1c(NC)ncnc1Sc1ncnc2nc[nH]c12.
What is the InChIKey of N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is VKYUVFDATCTEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-3-4-8-10(14-2)16-6-19-12(8)21-13-9-11(17-5-15-9)18-7-20-13/h5-7H,3-4H2,1-2H3,(H,14,16,19)(H,15,17,18,20).
What are the key properties of N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine?
N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 301.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80883518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).