[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone

C22H28N4O2 — CID 95806590

IUPAC[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESCOc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C22H28N4O2/c1-28-18-10-8-15(9-11-18)19-13-24-22(23)25-20(19)17-7-4-12-26(14-17)21(27)16-5-2-3-6-16/h8-11,13,16-17H,2-7,12,14H2,1H3,(H2,23,24,25)/t17-/m1/s1
InChIKeyPXCNNDIVQOMABN-QGZVFWFLSA-N
MW380.49 g/mol
LogP3.63
Rot. Bonds4

About [(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone

[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone (PubChem CID 95806590) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
PubChem CID95806590
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESCOc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C22H28N4O2/c1-28-18-10-8-15(9-11-18)19-13-24-22(23)25-20(19)17-7-4-12-26(14-17)21(27)16-5-2-3-6-16/h8-11,13,16-17H,2-7,12,14H2,1H3,(H2,23,24,25)/t17-/m1/s1
InChIKeyPXCNNDIVQOMABN-QGZVFWFLSA-N
XLogP3.63
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 110248847
[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806587
1-[(3S)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 95806534
1-[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110248860
[3-[2-amino-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 110248872
[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 129456810
1-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 125011903
cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965157
4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 118709184
4-[4-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 92617488
1-[(3S)-3-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95806568
cyclopentyl-[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110266500

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone (CID 95806590) is [(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone is COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)cc1.
What is the InChIKey of [(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone?
The InChIKey is PXCNNDIVQOMABN-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-28-18-10-8-15(9-11-18)19-13-24-22(23)25-20(19)17-7-4-12-26(14-17)21(27)16-5-2-3-6-16/h8-11,13,16-17H,2-7,12,14H2,1H3,(H2,23,24,25)/t17-/m1/s1.
What are the key properties of [(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone?
[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone has a molecular weight of 380.49 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 95806590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).