4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine

C14H23N3O — CID 116893068

IUPAC4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine
SMILESCc1cc(C2CCOCC2)nc(CCC(C)N)n1
InChIInChI=1S/C14H23N3O/c1-10(15)3-4-14-16-11(2)9-13(17-14)12-5-7-18-8-6-12/h9-10,12H,3-8,15H2,1-2H3
InChIKeyKTNJNANVOMKFCW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.96
Rot. Bonds4

About 4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine

4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine (PubChem CID 116893068) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine.

Molecular Properties

Compound Name4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine
PubChem CID116893068
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine
SMILESCc1cc(C2CCOCC2)nc(CCC(C)N)n1
InChIInChI=1S/C14H23N3O/c1-10(15)3-4-14-16-11(2)9-13(17-14)12-5-7-18-8-6-12/h9-10,12H,3-8,15H2,1-2H3
InChIKeyKTNJNANVOMKFCW-UHFFFAOYSA-N
XLogP1.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine
CID 116893070
1-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-one
CID 116895459
2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine
CID 116892590
2-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
CID 116893957
3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116893658
3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol
CID 116894013
2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine
CID 116893325
1-(4-cyclopropyl-6-methylpyrimidin-2-yl)ethanamine
CID 63318658
2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid
CID 116896352
N-methyl-2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-1-amine
CID 116896609
4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine
CID 116893458
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
CID 80656567

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine?
The IUPAC name of 4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine (CID 116893068) is 4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine.
What is the SMILES notation for 4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine?
The canonical SMILES for 4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine is Cc1cc(C2CCOCC2)nc(CCC(C)N)n1.
What is the InChIKey of 4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine?
The InChIKey is KTNJNANVOMKFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(15)3-4-14-16-11(2)9-13(17-14)12-5-7-18-8-6-12/h9-10,12H,3-8,15H2,1-2H3.
What are the key properties of 4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine?
4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine is sourced from PubChem (CID 116893068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).