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

C10H12ClN5 — CID 146142726

IUPAC5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-2-amine
SMILESCc1nc(CNc2ncc(Cl)cn2)[nH]c1C
InChIInChI=1S/C10H12ClN5/c1-6-7(2)16-9(15-6)5-14-10-12-3-8(11)4-13-10/h3-4H,5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeySBTMYCSMDAYENZ-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.08
Rot. Bonds3

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

5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-2-amine (PubChem CID 146142726) 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-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-2-amine
PubChem CID146142726
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-2-amine
SMILESCc1nc(CNc2ncc(Cl)cn2)[nH]c1C
InChIInChI=1S/C10H12ClN5/c1-6-7(2)16-9(15-6)5-14-10-12-3-8(11)4-13-10/h3-4H,5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeySBTMYCSMDAYENZ-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-2-amine (CID 146142726) is 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-2-amine is Cc1nc(CNc2ncc(Cl)cn2)[nH]c1C.
What is the InChIKey of 5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is SBTMYCSMDAYENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-6-7(2)16-9(15-6)5-14-10-12-3-8(11)4-13-10/h3-4H,5H2,1-2H3,(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-2-amine?
5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-2-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-2-amine is sourced from PubChem (CID 146142726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).