[4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone

C17H21N5O2 — CID 10449125

IUPAC[4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCNCC2)nc1N
InChIInChI=1S/C17H21N5O2/c1-24-14-5-3-2-4-12(14)15(23)13-10-20-17(22-16(13)18)21-11-6-8-19-9-7-11/h2-5,10-11,19H,6-9H2,1H3,(H3,18,20,21,22)
InChIKeyZJMXSDPJDCXSAG-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.46
Rot. Bonds5

About [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone

[4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone (PubChem CID 10449125) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone
PubChem CID10449125
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCNCC2)nc1N
InChIInChI=1S/C17H21N5O2/c1-24-14-5-3-2-4-12(14)15(23)13-10-20-17(22-16(13)18)21-11-6-8-19-9-7-11/h2-5,10-11,19H,6-9H2,1H3,(H3,18,20,21,22)
InChIKeyZJMXSDPJDCXSAG-UHFFFAOYSA-N
XLogP1.46
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone
CID 6918852
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3,4-trifluoro-6-methoxyphenyl)methanone
CID 10479319
2-cyano-4-(cyclohexylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 16108901
4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic Acid Ethyl Ester
CID 9843864
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](5-fluoro-2-methoxyphenyl)methanone
CID 9979700
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-(1-ethanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 10251513
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 10319097
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](3,4,5-trifluoro-2-methoxyphenyl)methanone
CID 10434333
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2-fluoro-6-methoxyphenyl)methanone
CID 11743030

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone (CID 10449125) is [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1cnc(NC2CCNCC2)nc1N.
What is the InChIKey of [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
The InChIKey is ZJMXSDPJDCXSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-14-5-3-2-4-12(14)15(23)13-10-20-17(22-16(13)18)21-11-6-8-19-9-7-11/h2-5,10-11,19H,6-9H2,1H3,(H3,18,20,21,22).
What are the key properties of [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
[4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone has a molecular weight of 327.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 10449125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).