(2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone

C22H28N4O2 — CID 56873611

IUPAC(2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone
SMILESNc1ncc(C(=O)N2CCOC(CC3CCCCC3)C2)c(-c2ccccc2)n1
InChIInChI=1S/C22H28N4O2/c23-22-24-14-19(20(25-22)17-9-5-2-6-10-17)21(27)26-11-12-28-18(15-26)13-16-7-3-1-4-8-16/h2,5-6,9-10,14,16,18H,1,3-4,7-8,11-13,15H2,(H2,23,24,25)
InChIKeyWXYBNVDIDIBXJD-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.54
Rot. Bonds4

About (2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone

(2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone (PubChem CID 56873611) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone
PubChem CID56873611
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone
SMILESNc1ncc(C(=O)N2CCOC(CC3CCCCC3)C2)c(-c2ccccc2)n1
InChIInChI=1S/C22H28N4O2/c23-22-24-14-19(20(25-22)17-9-5-2-6-10-17)21(27)26-11-12-28-18(15-26)13-16-7-3-1-4-8-16/h2,5-6,9-10,14,16,18H,1,3-4,7-8,11-13,15H2,(H2,23,24,25)
InChIKeyWXYBNVDIDIBXJD-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone
CID 45246737
(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)-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146044137
[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 26396060
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42245309
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 42401886
(2-amino-4-phenylpyrimidin-5-yl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133119367
(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)-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone
CID 133266763
[(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
1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 95445095

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone (CID 56873611) is (2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone is Nc1ncc(C(=O)N2CCOC(CC3CCCCC3)C2)c(-c2ccccc2)n1.
What is the InChIKey of (2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone?
The InChIKey is WXYBNVDIDIBXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c23-22-24-14-19(20(25-22)17-9-5-2-6-10-17)21(27)26-11-12-28-18(15-26)13-16-7-3-1-4-8-16/h2,5-6,9-10,14,16,18H,1,3-4,7-8,11-13,15H2,(H2,23,24,25).
What are the key properties of (2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone?
(2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56873611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).