[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone

C16H24N4O2 — CID 126887514

IUPAC[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1cc(NC2CCN(C(=O)C3CCOCC3)CC2)ncn1
InChIInChI=1S/C16H24N4O2/c1-12-10-15(18-11-17-12)19-14-2-6-20(7-3-14)16(21)13-4-8-22-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,17,18,19)
InChIKeyVCIGMNCNJJQTAZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.61
Rot. Bonds3

About [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone

[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 126887514) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID126887514
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1cc(NC2CCN(C(=O)C3CCOCC3)CC2)ncn1
InChIInChI=1S/C16H24N4O2/c1-12-10-15(18-11-17-12)19-14-2-6-20(7-3-14)16(21)13-4-8-22-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,17,18,19)
InChIKeyVCIGMNCNJJQTAZ-UHFFFAOYSA-N
XLogP1.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-chromen-3-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887564
1H-imidazol-5-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887552
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887498
(2-methylpyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887582
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 126888429
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-3-yl)methanone
CID 56778602
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
(3-methoxy-1-methylpyrazol-4-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887501
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 126887559
6-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126887868
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887579

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone (CID 126887514) is [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone is Cc1cc(NC2CCN(C(=O)C3CCOCC3)CC2)ncn1.
What is the InChIKey of [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is VCIGMNCNJJQTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-10-15(18-11-17-12)19-14-2-6-20(7-3-14)16(21)13-4-8-22-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,17,18,19).
What are the key properties of [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone?
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 126887514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).