2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine

C15H24N4O — CID 95846708

IUPAC2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(N[C@@H]2CCCOC2)cc(C2CCNCC2)n1
InChIInChI=1S/C15H24N4O/c1-11-17-14(12-4-6-16-7-5-12)9-15(18-11)19-13-3-2-8-20-10-13/h9,12-13,16H,2-8,10H2,1H3,(H,17,18,19)/t13-/m1/s1
InChIKeyZOKBEBROWADWJV-CYBMUJFWSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds3

About 2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine

2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 95846708) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID95846708
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(N[C@@H]2CCCOC2)cc(C2CCNCC2)n1
InChIInChI=1S/C15H24N4O/c1-11-17-14(12-4-6-16-7-5-12)9-15(18-11)19-13-3-2-8-20-10-13/h9,12-13,16H,2-8,10H2,1H3,(H,17,18,19)/t13-/m1/s1
InChIKeyZOKBEBROWADWJV-CYBMUJFWSA-N
XLogP1.84
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
CID 136956674
6-(1-methylpiperidin-4-yl)-N-(oxan-3-yl)pyridin-2-amine
CID 110271457
6-chloro-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713664
2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
CID 110090085
N-cyclopentyl-2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine
CID 95846278
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
CID 95222261
2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine
CID 110095196
2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile
CID 114766475
3-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95244110
2-tert-butyl-6-chloro-N-(oxan-3-yl)pyrimidin-4-amine
CID 80951283
1-[2-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,4-diazepane
CID 126440152

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine (CID 95846708) is 2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine is Cc1nc(N[C@@H]2CCCOC2)cc(C2CCNCC2)n1.
What is the InChIKey of 2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is ZOKBEBROWADWJV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-17-14(12-4-6-16-7-5-12)9-15(18-11)19-13-3-2-8-20-10-13/h9,12-13,16H,2-8,10H2,1H3,(H,17,18,19)/t13-/m1/s1.
What are the key properties of 2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine?
2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 276.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3R)-oxan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 95846708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).