2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

C21H31N5O — CID 137258212

IUPAC2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC(C)CN3CC(C)CC(C)C3)nc2)n1
InChIInChI=1S/C21H31N5O/c1-5-18-9-20(27)25-21(24-18)17-6-7-19(22-10-17)23-16(4)13-26-11-14(2)8-15(3)12-26/h6-7,9-10,14-16H,5,8,11-13H2,1-4H3,(H,22,23)(H,24,25,27)
InChIKeyUKSZPCSZUFITRW-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.17
Rot. Bonds6

About 2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 137258212) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID137258212
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC(C)CN3CC(C)CC(C)C3)nc2)n1
InChIInChI=1S/C21H31N5O/c1-5-18-9-20(27)25-21(24-18)17-6-7-19(22-10-17)23-16(4)13-26-11-14(2)8-15(3)12-26/h6-7,9-10,14-16H,5,8,11-13H2,1-4H3,(H,22,23)(H,24,25,27)
InChIKeyUKSZPCSZUFITRW-UHFFFAOYSA-N
XLogP3.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (CID 137258212) is 2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NC(C)CN3CC(C)CC(C)C3)nc2)n1.
What is the InChIKey of 2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is UKSZPCSZUFITRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-5-18-9-20(27)25-21(24-18)17-6-7-19(22-10-17)23-16(4)13-26-11-14(2)8-15(3)12-26/h6-7,9-10,14-16H,5,8,11-13H2,1-4H3,(H,22,23)(H,24,25,27).
What are the key properties of 2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 369.51 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137258212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).