[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone

C17H20N4O2 — CID 56862175

IUPAC[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CCCN(c3nccc(N)n3)C2)c1
InChIInChI=1S/C17H20N4O2/c1-23-14-6-2-4-12(10-14)16(22)13-5-3-9-21(11-13)17-19-8-7-15(18)20-17/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H2,18,19,20)
InChIKeyKNMDLPRJHGOCJQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.17
Rot. Bonds4

About [1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone

[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone (PubChem CID 56862175) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone
PubChem CID56862175
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CCCN(c3nccc(N)n3)C2)c1
InChIInChI=1S/C17H20N4O2/c1-23-14-6-2-4-12(10-14)16(22)13-5-3-9-21(11-13)17-19-8-7-15(18)20-17/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H2,18,19,20)
InChIKeyKNMDLPRJHGOCJQ-UHFFFAOYSA-N
XLogP2.17
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-Pyrimidinyloxy)phenyl]-1-ethanone
CID 2764392
4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic Acid Ethyl Ester
CID 9843864
1-[4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]-piperidin-1-yl]ethanone
CID 9999155
4-({4-amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)-N-ethylpiperidine-1-carboxamide
CID 10023782
1-[4-({4-Amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)piperidin-1-yl]butan-1-one
CID 10069391
[4-Amino-2-(piperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 10449125
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 11975203
1-[4-[4-Amino-5-(2-ethoxybenzoyl)pyrimidin-2-ylamino]piperidin-1-yl]ethanone
CID 11975205
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
3-(Pyrimidin-2-yloxy)benzaldehyde
CID 2763336
[4-Amino-2-(1-methylpiperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 11975204

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone (CID 56862175) is [1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)C2CCCN(c3nccc(N)n3)C2)c1.
What is the InChIKey of [1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone?
The InChIKey is KNMDLPRJHGOCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-14-6-2-4-12(10-14)16(22)13-5-3-9-21(11-13)17-19-8-7-15(18)20-17/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H2,18,19,20).
What are the key properties of [1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone?
[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone has a molecular weight of 312.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminopyrimidin-2-yl)piperidin-3-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 56862175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).