N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine

C16H17N5 — CID 80664628

IUPACN,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(Cn2ccnc2-c2ccccc2)n1
InChIInChI=1S/C16H17N5/c1-12-10-14(17-2)20-15(19-12)11-21-9-8-18-16(21)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,19,20)
InChIKeySMMDPFCWUCOSRY-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.74
Rot. Bonds4

About N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine

N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine (PubChem CID 80664628) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine
PubChem CID80664628
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(Cn2ccnc2-c2ccccc2)n1
InChIInChI=1S/C16H17N5/c1-12-10-14(17-2)20-15(19-12)11-21-9-8-18-16(21)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,19,20)
InChIKeySMMDPFCWUCOSRY-UHFFFAOYSA-N
XLogP2.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine (CID 80664628) is N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine is CNc1cc(C)nc(Cn2ccnc2-c2ccccc2)n1.
What is the InChIKey of N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine?
The InChIKey is SMMDPFCWUCOSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-10-14(17-2)20-15(19-12)11-21-9-8-18-16(21)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,19,20).
What are the key properties of N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine?
N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(2-phenylimidazol-1-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80664628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).