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

C24H19ClN6O2 — CID 156898812

IUPAC2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1
InChIInChI=1S/C24H19ClN6O2/c1-14-20(22(32)29-19-12-6-7-13-26-19)21(15-8-2-3-9-16(15)25)30-23(27-14)31-24-28-17-10-4-5-11-18(17)33-24/h2-13,21H,1H3,(H,26,29,32)(H2,27,28,30,31)
InChIKeyJMMFXMBFEIZQJX-UHFFFAOYSA-N
MW458.91 g/mol
LogP4.90
Rot. Bonds4

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

2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 156898812) has the molecular formula C24H19ClN6O2 and a molecular weight of 458.91 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID156898812
Molecular FormulaC24H19ClN6O2
Molecular Weight458.91 g/mol
Exact Mass458.13
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1
InChIInChI=1S/C24H19ClN6O2/c1-14-20(22(32)29-19-12-6-7-13-26-19)21(15-8-2-3-9-16(15)25)30-23(27-14)31-24-28-17-10-4-5-11-18(17)33-24/h2-13,21H,1H3,(H,26,29,32)(H2,27,28,30,31)
InChIKeyJMMFXMBFEIZQJX-UHFFFAOYSA-N
XLogP4.90
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide (CID 156898812) is 2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2Cl)N=C(Nc2nc3ccccc3o2)N1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is JMMFXMBFEIZQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O2/c1-14-20(22(32)29-19-12-6-7-13-26-19)21(15-8-2-3-9-16(15)25)30-23(27-14)31-24-28-17-10-4-5-11-18(17)33-24/h2-13,21H,1H3,(H,26,29,32)(H2,27,28,30,31).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide?
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 458.91 g/mol, XLogP of 4.90, 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)-4-(2-chlorophenyl)-6-methyl-N-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 156898812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).