4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine

C21H24N6O — CID 110267149

IUPAC4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine
SMILESCOc1ccc(CN2CCCC(c3ccnc(Nc4cncnc4)n3)C2)cc1
InChIInChI=1S/C21H24N6O/c1-28-19-6-4-16(5-7-19)13-27-10-2-3-17(14-27)20-8-9-24-21(26-20)25-18-11-22-15-23-12-18/h4-9,11-12,15,17H,2-3,10,13-14H2,1H3,(H,24,25,26)
InChIKeyIODWFVGCXCPVFO-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.40
Rot. Bonds6

About 4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine

4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine (PubChem CID 110267149) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine
PubChem CID110267149
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine
SMILESCOc1ccc(CN2CCCC(c3ccnc(Nc4cncnc4)n3)C2)cc1
InChIInChI=1S/C21H24N6O/c1-28-19-6-4-16(5-7-19)13-27-10-2-3-17(14-27)20-8-9-24-21(26-20)25-18-11-22-15-23-12-18/h4-9,11-12,15,17H,2-3,10,13-14H2,1H3,(H,24,25,26)
InChIKeyIODWFVGCXCPVFO-UHFFFAOYSA-N
XLogP3.40
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methoxyphenyl)-1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110267356
2-(4-methoxyphenyl)-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837849
6-N-methyl-4-N-[4-[(3S)-1-(quinoxalin-6-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
CID 95837918
4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
CID 141454585
4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine
CID 124946806
3-(4-methoxyphenyl)-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125015542
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809167
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
4-(azepan-1-yl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086216
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205
6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 110243871
3-(4-methoxyphenyl)-1-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 127252127

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine?
The IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine (CID 110267149) is 4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine?
The canonical SMILES for 4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine is COc1ccc(CN2CCCC(c3ccnc(Nc4cncnc4)n3)C2)cc1.
What is the InChIKey of 4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine?
The InChIKey is IODWFVGCXCPVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-28-19-6-4-16(5-7-19)13-27-10-2-3-17(14-27)20-8-9-24-21(26-20)25-18-11-22-15-23-12-18/h4-9,11-12,15,17H,2-3,10,13-14H2,1H3,(H,24,25,26).
What are the key properties of 4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine?
4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine has a molecular weight of 376.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine is sourced from PubChem (CID 110267149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).