2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine

C12H17N5S2 — CID 12893580

IUPAC2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine
SMILESCSc1nc(C2CC2)nc(SC)c1NC1=NCCN1
InChIInChI=1S/C12H17N5S2/c1-18-10-8(15-12-13-5-6-14-12)11(19-2)17-9(16-10)7-3-4-7/h7H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyWQLWWNDAVKZKCC-UHFFFAOYSA-N
MW295.44 g/mol
LogP2.17
Rot. Bonds4

About 2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine

2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine (PubChem CID 12893580) has the molecular formula C12H17N5S2 and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine
PubChem CID12893580
Molecular FormulaC12H17N5S2
Molecular Weight295.44 g/mol
Exact Mass295.09
IUPAC Name2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine
SMILESCSc1nc(C2CC2)nc(SC)c1NC1=NCCN1
InChIInChI=1S/C12H17N5S2/c1-18-10-8(15-12-13-5-6-14-12)11(19-2)17-9(16-10)7-3-4-7/h7H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyWQLWWNDAVKZKCC-UHFFFAOYSA-N
XLogP2.17
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine with MolForge

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Related Compounds

Pyrimidine, 5-amino-2-methyl-4-methylamino-6-methylthio-
CID 86178802
2,6-Bis(isobutylthio)pyrimidine-4,5-diamine
CID 135397808
9-Isobutyl-2,6-bis(isobutylthio)-8,9-dihydro-7h-purine-8-thiol
CID 135397840
5-Pyrimidinamine, 2-methyl-4,6-bis(methylthio)-
CID 10726765
4-N,4-N-diethyl-2-methyl-6-methylsulfanylpyrimidine-4,5-diamine
CID 20085410
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine
CID 20545071
N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
CID 20545082
4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine
CID 91618748
2-Cyclopropyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
CID 139882650
N-cyclopentyl-2-ethyl-6,7-dihydro-5H-pyrimido[4,5-b][1,4]thiazin-4-amine
CID 155692014
5-(ethylideneamino)-6-ethylsulfanyl-N,2-dimethylpyrimidin-4-amine
CID 156035930
2,4-Bis(methylsulfanyl)-5,6-dihydropteridine
CID 415454

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
The IUPAC name of 2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine (CID 12893580) is 2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine.
What is the SMILES notation for 2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
The canonical SMILES for 2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine is CSc1nc(C2CC2)nc(SC)c1NC1=NCCN1.
What is the InChIKey of 2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
The InChIKey is WQLWWNDAVKZKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S2/c1-18-10-8(15-12-13-5-6-14-12)11(19-2)17-9(16-10)7-3-4-7/h7H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine has a molecular weight of 295.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine is sourced from PubChem (CID 12893580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).