N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine

C14H20N4O — CID 138031308

IUPACN-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCc1nc(CNc2cc(CC(C)C)ncn2)co1
InChIInChI=1S/C14H20N4O/c1-4-14-18-12(8-19-14)7-15-13-6-11(5-10(2)3)16-9-17-13/h6,8-10H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyCXGYPJSEYMMEKH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.84
Rot. Bonds6

About N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine

N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 138031308) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID138031308
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCc1nc(CNc2cc(CC(C)C)ncn2)co1
InChIInChI=1S/C14H20N4O/c1-4-14-18-12(8-19-14)7-15-13-6-11(5-10(2)3)16-9-17-13/h6,8-10H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyCXGYPJSEYMMEKH-UHFFFAOYSA-N
XLogP2.84
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine (CID 138031308) is N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine is CCc1nc(CNc2cc(CC(C)C)ncn2)co1.
What is the InChIKey of N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is CXGYPJSEYMMEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-14-18-12(8-19-14)7-15-13-6-11(5-10(2)3)16-9-17-13/h6,8-10H,4-5,7H2,1-3H3,(H,15,16,17).
What are the key properties of N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine?
N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 260.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 138031308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).