1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine

C16H27N5O — CID 24732711

IUPAC1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
SMILESCOc1ccnc(N2CCC(NCCN3CCCC3)CC2)n1
InChIInChI=1S/C16H27N5O/c1-22-15-4-7-18-16(19-15)21-11-5-14(6-12-21)17-8-13-20-9-2-3-10-20/h4,7,14,17H,2-3,5-6,8-13H2,1H3
InChIKeyPULNDWYZQLCFDE-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.14
Rot. Bonds6

About 1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine

1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine (PubChem CID 24732711) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
PubChem CID24732711
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
SMILESCOc1ccnc(N2CCC(NCCN3CCCC3)CC2)n1
InChIInChI=1S/C16H27N5O/c1-22-15-4-7-18-16(19-15)21-11-5-14(6-12-21)17-8-13-20-9-2-3-10-20/h4,7,14,17H,2-3,5-6,8-13H2,1H3
InChIKeyPULNDWYZQLCFDE-UHFFFAOYSA-N
XLogP1.14
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-2-(piperazin-1-yl)pyrimidine
CID 11480987
4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
1-(4-Methoxypyrimidin-2-yl)-1,4-diazepane
CID 16777398
4-Ethoxy-2-(piperazin-1-yl)pyrimidine
CID 17855548
N-[(4-ethylmorpholin-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 53606538
N-[(4-cyclopropylmorpholin-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 53614910
2-[4-[(4-Methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56821485
4-[3-(1H-imidazol-2-yl)-1-piperidinyl]-6-methoxypyrimidine
CID 70708404
2-[4-[(1-Ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-4-methoxypyrimidine
CID 72144500
4-(3-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}-1-piperidinyl)-6-methoxy-2-pyrimidinamine
CID 72844355
N-[rel-(3R,4S)-1-(4-methoxy-2-pyrimidinyl)-4-propyl-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72878117
4-(4-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}-1-piperidinyl)-6-methoxy-2-pyrimidinamine
CID 72919432

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine (CID 24732711) is 1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine is COc1ccnc(N2CCC(NCCN3CCCC3)CC2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine?
The InChIKey is PULNDWYZQLCFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-22-15-4-7-18-16(19-15)21-11-5-14(6-12-21)17-8-13-20-9-2-3-10-20/h4,7,14,17H,2-3,5-6,8-13H2,1H3.
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine?
1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine has a molecular weight of 305.43 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine is sourced from PubChem (CID 24732711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).