(4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C20H25N5O2 — CID 136835925

IUPAC(4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCOc1ccccc1[C@@H]1N=C(NC2CCCCC2)Nc2nc(C)cc(=O)n21
InChIInChI=1S/C20H25N5O2/c1-13-12-17(26)25-18(15-10-6-7-11-16(15)27-2)23-19(24-20(25)21-13)22-14-8-4-3-5-9-14/h6-7,10-12,14,18H,3-5,8-9H2,1-2H3,(H2,21,22,23,24)/t18-/m1/s1
InChIKeyAWKKOSGMVLEVOI-GOSISDBHSA-N
MW367.45 g/mol
LogP2.81
Rot. Bonds3

About (4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

(4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 136835925) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name(4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID136835925
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCOc1ccccc1[C@@H]1N=C(NC2CCCCC2)Nc2nc(C)cc(=O)n21
InChIInChI=1S/C20H25N5O2/c1-13-12-17(26)25-18(15-10-6-7-11-16(15)27-2)23-19(24-20(25)21-13)22-14-8-4-3-5-9-14/h6-7,10-12,14,18H,3-5,8-9H2,1-2H3,(H2,21,22,23,24)/t18-/m1/s1
InChIKeyAWKKOSGMVLEVOI-GOSISDBHSA-N
XLogP2.81
TPSA80.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of (4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 136835925) is (4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for (4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for (4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is COc1ccccc1[C@@H]1N=C(NC2CCCCC2)Nc2nc(C)cc(=O)n21.
What is the InChIKey of (4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is AWKKOSGMVLEVOI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-12-17(26)25-18(15-10-6-7-11-16(15)27-2)23-19(24-20(25)21-13)22-14-8-4-3-5-9-14/h6-7,10-12,14,18H,3-5,8-9H2,1-2H3,(H2,21,22,23,24)/t18-/m1/s1.
What are the key properties of (4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
(4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 367.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(cyclohexylamino)-4-(2-methoxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 136835925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).