(2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone

C21H27N5O — CID 146044137

IUPAC(2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone
SMILESNc1ncc(C(=O)N2CCC(C3CCNCC3)CC2)c(-c2ccccc2)n1
InChIInChI=1S/C21H27N5O/c22-21-24-14-18(19(25-21)17-4-2-1-3-5-17)20(27)26-12-8-16(9-13-26)15-6-10-23-11-7-15/h1-5,14-16,23H,6-13H2,(H2,22,24,25)
InChIKeyXDNNOZNLHPOKRH-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.58
Rot. Bonds3

About (2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone

(2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone (PubChem CID 146044137) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone
PubChem CID146044137
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone
SMILESNc1ncc(C(=O)N2CCC(C3CCNCC3)CC2)c(-c2ccccc2)n1
InChIInChI=1S/C21H27N5O/c22-21-24-14-18(19(25-21)17-4-2-1-3-5-17)20(27)26-12-8-16(9-13-26)15-6-10-23-11-7-15/h1-5,14-16,23H,6-13H2,(H2,22,24,25)
InChIKeyXDNNOZNLHPOKRH-UHFFFAOYSA-N
XLogP2.58
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70758350
(2-amino-4-phenylpyrimidin-5-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 95869933
(2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 138379054
(2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone
CID 56873611
[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-amino-4-phenylpyrimidin-5-yl)methanone
CID 163317399
(2-amino-4-phenylpyrimidin-5-yl)-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone
CID 133266763
(2-amino-4-phenylpyrimidin-5-yl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133119367
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone
CID 15851436
(2-amino-4-phenylpyrimidin-5-yl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163316767
2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid
CID 123695690
2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide
CID 74249805

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone (CID 146044137) is (2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone is Nc1ncc(C(=O)N2CCC(C3CCNCC3)CC2)c(-c2ccccc2)n1.
What is the InChIKey of (2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The InChIKey is XDNNOZNLHPOKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c22-21-24-14-18(19(25-21)17-4-2-1-3-5-17)20(27)26-12-8-16(9-13-26)15-6-10-23-11-7-15/h1-5,14-16,23H,6-13H2,(H2,22,24,25).
What are the key properties of (2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone?
(2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone has a molecular weight of 365.48 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 146044137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).