N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine

C18H18N4O — CID 16682187

IUPACN-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine
SMILESCc1cc(-c2cc(-c3ccccc3)on2)nc(NCC2CC2)n1
InChIInChI=1S/C18H18N4O/c1-12-9-15(21-18(20-12)19-11-13-7-8-13)16-10-17(23-22-16)14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11H2,1H3,(H,19,20,21)
InChIKeySTZKNHJVYSFWLT-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.93
Rot. Bonds5

About N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine

N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine (PubChem CID 16682187) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine
PubChem CID16682187
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine
SMILESCc1cc(-c2cc(-c3ccccc3)on2)nc(NCC2CC2)n1
InChIInChI=1S/C18H18N4O/c1-12-9-15(21-18(20-12)19-11-13-7-8-13)16-10-17(23-22-16)14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11H2,1H3,(H,19,20,21)
InChIKeySTZKNHJVYSFWLT-UHFFFAOYSA-N
XLogP3.93
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine (CID 16682187) is N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine is Cc1cc(-c2cc(-c3ccccc3)on2)nc(NCC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine?
The InChIKey is STZKNHJVYSFWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-9-15(21-18(20-12)19-11-13-7-8-13)16-10-17(23-22-16)14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11H2,1H3,(H,19,20,21).
What are the key properties of N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine?
N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine has a molecular weight of 306.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 16682187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).