[1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine

C15H24N4O — CID 119065215

IUPAC[1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESCc1nc(C2CCOC2)cc(N2CCC(CN)CC2)n1
InChIInChI=1S/C15H24N4O/c1-11-17-14(13-4-7-20-10-13)8-15(18-11)19-5-2-12(9-16)3-6-19/h8,12-13H,2-7,9-10,16H2,1H3
InChIKeyAUBCELDWWRVJHR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.46
Rot. Bonds3

About [1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine

[1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine (PubChem CID 119065215) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine
PubChem CID119065215
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESCc1nc(C2CCOC2)cc(N2CCC(CN)CC2)n1
InChIInChI=1S/C15H24N4O/c1-11-17-14(13-4-7-20-10-13)8-15(18-11)19-5-2-12(9-16)3-6-19/h8,12-13H,2-7,9-10,16H2,1H3
InChIKeyAUBCELDWWRVJHR-UHFFFAOYSA-N
XLogP1.46
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 126430096
1-[2-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,4-diazepane
CID 126440152
2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
CID 119059136
2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 126439671
[1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 126430167
1-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 126446357
4-[2-(dimethylamino)ethyl]-1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 119071248
4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119059512
4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126436493
[1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 119064003
4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 66741197
ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 119064029

Frequently Asked Questions

What is the IUPAC name of [1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine (CID 119065215) is [1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine is Cc1nc(C2CCOC2)cc(N2CCC(CN)CC2)n1.
What is the InChIKey of [1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine?
The InChIKey is AUBCELDWWRVJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-17-14(13-4-7-20-10-13)8-15(18-11)19-5-2-12(9-16)3-6-19/h8,12-13H,2-7,9-10,16H2,1H3.
What are the key properties of [1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine?
[1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine has a molecular weight of 276.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 119065215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).