4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine

C9H12ClN5S — CID 20545071

IUPAC4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine
SMILESCSc1nc(C)nc(Cl)c1NC1=NCCN1
InChIInChI=1S/C9H12ClN5S/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
InChIKeyBNCRDMGVBVPAMK-UHFFFAOYSA-N
MW257.75 g/mol
LogP1.53
Rot. Bonds2

About 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine

4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine (PubChem CID 20545071) has the molecular formula C9H12ClN5S and a molecular weight of 257.75 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine
PubChem CID20545071
Molecular FormulaC9H12ClN5S
Molecular Weight257.75 g/mol
Exact Mass257.05
IUPAC Name4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine
SMILESCSc1nc(C)nc(Cl)c1NC1=NCCN1
InChIInChI=1S/C9H12ClN5S/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
InChIKeyBNCRDMGVBVPAMK-UHFFFAOYSA-N
XLogP1.53
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dichloro-N-(imidazolidin-2-ylidene)-2-methylpyrimidin-5-amine
CID 87373396
Pyrimidine, 5-amino-2-methyl-4-methylamino-6-methylthio-
CID 86178802
6-chloro-2-propylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
CID 139410886
2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-bis(methylsulfanyl)pyrimidin-5-amine
CID 12893580
4-N,4-N-diethyl-2-methyl-6-methylsulfanylpyrimidine-4,5-diamine
CID 20085410
N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-amine
CID 20545082
5-chloro-4-methylsulfanyl-6-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine
CID 70492382
5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine
CID 70573863
6-chloro-4-N-cyclopropyl-2-methylsulfanylpyrimidine-4,5-diamine
CID 85868722
6-Chloro-2-methyl-N4-(2-methylsulfanylethyl)pyrimidine-4,5-diamine
CID 86675236
4-chloro-6-methylsulfanyl-5-piperazin-1-yl-N-propan-2-ylpyrimidin-2-amine
CID 88707404
4-Chloro-6-methylsulfanylpyrimidine-2,5-diamine
CID 88712151

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine?
The IUPAC name of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine (CID 20545071) is 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine is CSc1nc(C)nc(Cl)c1NC1=NCCN1.
What is the InChIKey of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine?
The InChIKey is BNCRDMGVBVPAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5S/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15).
What are the key properties of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine?
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine has a molecular weight of 257.75 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 20545071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).