2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide

C24H20N6O2 — CID 4887666

IUPAC2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)N=C(Nc2nc3ccccc3o2)N1
InChIInChI=1S/C24H20N6O2/c1-15-20(22(31)27-17-9-3-2-4-10-17)21(16-8-7-13-25-14-16)29-23(26-15)30-24-28-18-11-5-6-12-19(18)32-24/h2-14,21H,1H3,(H,27,31)(H2,26,28,29,30)
InChIKeyUUVCDPCYVCAWTO-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.25
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide

2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 4887666) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID4887666
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)N=C(Nc2nc3ccccc3o2)N1
InChIInChI=1S/C24H20N6O2/c1-15-20(22(31)27-17-9-3-2-4-10-17)21(16-8-7-13-25-14-16)29-23(26-15)30-24-28-18-11-5-6-12-19(18)32-24/h2-14,21H,1H3,(H,27,31)(H2,26,28,29,30)
InChIKeyUUVCDPCYVCAWTO-UHFFFAOYSA-N
XLogP4.25
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide
CID 46926031
(4R)-2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxamide
CID 40929656
2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyrimidine-5-carboxamide
CID 4973038
2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-(2-methylphenyl)-4-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide
CID 4893317
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-(4-piperazin-1-ylphenyl)-1,4-dihydropyrimidine-5-carboxamide
CID 156898567
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-N-[4-[hydroxy-(methylidene-λ4-sulfanylidene)methyl]-2-pyridinyl]-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 166811599
2-(1,3-benzoxazol-2-ylamino)-4-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 156898866
2-(1,3-benzoxazol-2-ylamino)-4-(2,5-dichlorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 156898600
2-(1,3-benzothiazol-2-ylamino)-4-(4-chlorophenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide
CID 4886571
(4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide
CID 40640102
5-methyl-N,2-diphenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4116212
[(E)-2-methylbut-1-enyl] N-[2-(1,3-benzoxazol-2-ylamino)-4-(2-bromophenyl)-6-methyl-1,4-dihydropyrimidine-5-carbonyl]-N'-methylcarbamimidothioate
CID 156899066

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide (CID 4887666) is 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)N=C(Nc2nc3ccccc3o2)N1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is UUVCDPCYVCAWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-15-20(22(31)27-17-9-3-2-4-10-17)21(16-8-7-13-25-14-16)29-23(26-15)30-24-28-18-11-5-6-12-19(18)32-24/h2-14,21H,1H3,(H,27,31)(H2,26,28,29,30).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide?
2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-phenyl-4-pyridin-3-yl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 4887666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).