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

C10H15N5S2 — CID 20545082

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
SMILESCSc1nc(C)nc(SC)c1NC1=NCCN1
InChIInChI=1S/C10H15N5S2/c1-6-13-8(16-2)7(9(14-6)17-3)15-10-11-4-5-12-10/h4-5H2,1-3H3,(H2,11,12,15)
InChIKeyVRERZZAWQVFRSS-UHFFFAOYSA-N
MW269.40 g/mol
LogP1.60
Rot. Bonds3

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

N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine (PubChem CID 20545082) has the molecular formula C10H15N5S2 and a molecular weight of 269.40 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
PubChem CID20545082
Molecular FormulaC10H15N5S2
Molecular Weight269.40 g/mol
Exact Mass269.08
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
SMILESCSc1nc(C)nc(SC)c1NC1=NCCN1
InChIInChI=1S/C10H15N5S2/c1-6-13-8(16-2)7(9(14-6)17-3)15-10-11-4-5-12-10/h4-5H2,1-3H3,(H2,11,12,15)
InChIKeyVRERZZAWQVFRSS-UHFFFAOYSA-N
XLogP1.60
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylthio-
CID 216614
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylamino-
CID 3043315
7H-Pyrimido(4,5-b)(1,4)thiazine, 2,4,6-triamino-
CID 3049965
2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
CID 239954
6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
CID 267696
Pyrimidine, 5-amino-2-methyl-4-methylamino-6-methylthio-
CID 86178802
Pyrimidine, 5-formamido-2-methyl-4-methylamino-6-methylthio-
CID 171384369
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917
5-Ethyl-7-piperazin-1-yl-[1,3]dithiolo[4,5-d]pyrimidine
CID 44209100
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792
9-Ethyl-2,6-bis(ethylthio)-8,9-dihydro-7h-purine-8-thiol
CID 135397807
2,6-Bis(isobutylthio)pyrimidine-4,5-diamine
CID 135397808

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine (CID 20545082) is N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine is CSc1nc(C)nc(SC)c1NC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
The InChIKey is VRERZZAWQVFRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S2/c1-6-13-8(16-2)7(9(14-6)17-3)15-10-11-4-5-12-10/h4-5H2,1-3H3,(H2,11,12,15).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine has a molecular weight of 269.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine is sourced from PubChem (CID 20545082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).