(2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone

C18H20N4O — CID 138379054

IUPAC(2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESCCC12CC1CN(C(=O)c1cnc(N)nc1-c1ccccc1)C2
InChIInChI=1S/C18H20N4O/c1-2-18-8-13(18)10-22(11-18)16(23)14-9-20-17(19)21-15(14)12-6-4-3-5-7-12/h3-7,9,13H,2,8,10-11H2,1H3,(H2,19,20,21)
InChIKeyGFQDVJAQRWTQJF-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.60
Rot. Bonds3

About (2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone

(2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone (PubChem CID 138379054) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is (2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
PubChem CID138379054
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name(2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESCCC12CC1CN(C(=O)c1cnc(N)nc1-c1ccccc1)C2
InChIInChI=1S/C18H20N4O/c1-2-18-8-13(18)10-22(11-18)16(23)14-9-20-17(19)21-15(14)12-6-4-3-5-7-12/h3-7,9,13H,2,8,10-11H2,1H3,(H2,19,20,21)
InChIKeyGFQDVJAQRWTQJF-UHFFFAOYSA-N
XLogP2.60
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone with MolForge

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Related Compounds

[(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)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 95869933
(2-amino-4-phenylpyrimidin-5-yl)-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone
CID 133266763
(2-amino-4-phenylpyrimidin-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146044137
(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 138384123
(2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70758350
(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)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone
CID 56873611
(2-amino-4-phenylpyrimidin-5-yl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163316767
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone
CID 15851436
2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid
CID 123695690

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The IUPAC name of (2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone (CID 138379054) is (2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone.
What is the SMILES notation for (2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The canonical SMILES for (2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone is CCC12CC1CN(C(=O)c1cnc(N)nc1-c1ccccc1)C2.
What is the InChIKey of (2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The InChIKey is GFQDVJAQRWTQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-18-8-13(18)10-22(11-18)16(23)14-9-20-17(19)21-15(14)12-6-4-3-5-7-12/h3-7,9,13H,2,8,10-11H2,1H3,(H2,19,20,21).
What are the key properties of (2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
(2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone has a molecular weight of 308.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone is sourced from PubChem (CID 138379054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).