[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone

C18H23N5O2 — CID 11975204

IUPAC[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCN(C)CC2)nc1N
InChIInChI=1S/C18H23N5O2/c1-23-9-7-12(8-10-23)21-18-20-11-14(17(19)22-18)16(24)13-5-3-4-6-15(13)25-2/h3-6,11-12H,7-10H2,1-2H3,(H3,19,20,21,22)
InChIKeyXLHDJCUNHIRTDD-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.80
Rot. Bonds5

About [4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone

[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone (PubChem CID 11975204) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone
PubChem CID11975204
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCN(C)CC2)nc1N
InChIInChI=1S/C18H23N5O2/c1-23-9-7-12(8-10-23)21-18-20-11-14(17(19)22-18)16(24)13-5-3-4-6-15(13)25-2/h3-6,11-12H,7-10H2,1-2H3,(H3,19,20,21,22)
InChIKeyXLHDJCUNHIRTDD-UHFFFAOYSA-N
XLogP1.80
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
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-(piperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 10449125

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone (CID 11975204) is [4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1cnc(NC2CCN(C)CC2)nc1N.
What is the InChIKey of [4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
The InChIKey is XLHDJCUNHIRTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-23-9-7-12(8-10-23)21-18-20-11-14(17(19)22-18)16(24)13-5-3-4-6-15(13)25-2/h3-6,11-12H,7-10H2,1-2H3,(H3,19,20,21,22).
What are the key properties of [4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone?
[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone has a molecular weight of 341.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 11975204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).