5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine

C10H12ClN5 — CID 146105482

IUPAC5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(CNc2ncncc2Cl)[nH]c1C
InChIInChI=1S/C10H12ClN5/c1-6-7(2)16-9(15-6)4-13-10-8(11)3-12-5-14-10/h3,5H,4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyMDFRQDIPTPKUSU-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.08
Rot. Bonds3

About 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine

5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 146105482) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID146105482
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(CNc2ncncc2Cl)[nH]c1C
InChIInChI=1S/C10H12ClN5/c1-6-7(2)16-9(15-6)4-13-10-8(11)3-12-5-14-10/h3,5H,4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyMDFRQDIPTPKUSU-UHFFFAOYSA-N
XLogP2.08
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine
CID 105369457
5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-2-amine
CID 146142726
N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 154786307
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 105369409
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 105369387
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 102677497
2-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-7H-purin-6-amine
CID 167815074
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine
CID 105368920
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 102975903

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine (CID 146105482) is 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine is Cc1nc(CNc2ncncc2Cl)[nH]c1C.
What is the InChIKey of 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is MDFRQDIPTPKUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-6-7(2)16-9(15-6)4-13-10-8(11)3-12-5-14-10/h3,5H,4H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine?
5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 237.69 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 146105482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).