(4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone

C16H25N5O2 — CID 162471195

IUPAC(4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone
SMILESNC1CCN(C(=O)c2cc(NCC3CCCCO3)ncn2)CC1
InChIInChI=1S/C16H25N5O2/c17-12-4-6-21(7-5-12)16(22)14-9-15(20-11-19-14)18-10-13-3-1-2-8-23-13/h9,11-13H,1-8,10,17H2,(H,18,19,20)
InChIKeyJKDVBOHICPSQNN-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.02
Rot. Bonds4

About (4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone

(4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone (PubChem CID 162471195) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone
PubChem CID162471195
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone
SMILESNC1CCN(C(=O)c2cc(NCC3CCCCO3)ncn2)CC1
InChIInChI=1S/C16H25N5O2/c17-12-4-6-21(7-5-12)16(22)14-9-15(20-11-19-14)18-10-13-3-1-2-8-23-13/h9,11-13H,1-8,10,17H2,(H,18,19,20)
InChIKeyJKDVBOHICPSQNN-UHFFFAOYSA-N
XLogP1.02
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 91667431
2-chloro-N-(cyclopropylmethyl)-6-morpholinopyrimidine-4-carboxamide
CID 145998144
[2-Methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538768
[6-(2-Methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538798
1-[2-Methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 75538833
N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 162650117
2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 162661087
2-(4-ethyl-1-piperazinyl)-N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}acetamide
CID 70762772
2-(4-isopropyl-2-morpholinyl)-N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}acetamide
CID 70778335
Ethyl 4-(6-(pyrrolidin-1-yl)pyrimidine-4-carboxamido)piperidine-1-carboxylate
CID 91628612
2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 47256757
1-(6-Morpholinopyrimidine-4-carbonyl)piperidine-4-carboxamide
CID 91816381

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone (CID 162471195) is (4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone is NC1CCN(C(=O)c2cc(NCC3CCCCO3)ncn2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The InChIKey is JKDVBOHICPSQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c17-12-4-6-21(7-5-12)16(22)14-9-15(20-11-19-14)18-10-13-3-1-2-8-23-13/h9,11-13H,1-8,10,17H2,(H,18,19,20).
What are the key properties of (4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone?
(4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone has a molecular weight of 319.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 162471195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).