[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone

C15H22N4O2 — CID 109341627

IUPAC[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(NCC2CCCO2)ncn1)N1CCCCC1
InChIInChI=1S/C15H22N4O2/c20-15(19-6-2-1-3-7-19)13-9-14(18-11-17-13)16-10-12-5-4-8-21-12/h9,11-12H,1-8,10H2,(H,16,17,18)
InChIKeyJALLHRKIJBIJBO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.69
Rot. Bonds4

About [6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone

[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109341627) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109341627
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(NCC2CCCO2)ncn1)N1CCCCC1
InChIInChI=1S/C15H22N4O2/c20-15(19-6-2-1-3-7-19)13-9-14(18-11-17-13)16-10-12-5-4-8-21-12/h9,11-12H,1-8,10H2,(H,16,17,18)
InChIKeyJALLHRKIJBIJBO-UHFFFAOYSA-N
XLogP1.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109343521
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298407
6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339622
N-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343802
(4-methylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276926
N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343781
[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109365724
N-[(2-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343712
N-(furan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343710

Frequently Asked Questions

What is the IUPAC name of [6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109341627) is [6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone is O=C(c1cc(NCC2CCCO2)ncn1)N1CCCCC1.
What is the InChIKey of [6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is JALLHRKIJBIJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-15(19-6-2-1-3-7-19)13-9-14(18-11-17-13)16-10-12-5-4-8-21-12/h9,11-12H,1-8,10H2,(H,16,17,18).
What are the key properties of [6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 290.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109341627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).