2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine

C26H26N6O2 — CID 11487850

IUPAC2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(Nc3nc(COCC(C)C)nc4nc(-c5ncccc5C)ccc34)ccc2o1
InChIInChI=1S/C26H26N6O2/c1-15(2)13-33-14-23-31-25(29-18-7-10-22-21(12-18)28-17(4)34-22)19-8-9-20(30-26(19)32-23)24-16(3)6-5-11-27-24/h5-12,15H,13-14H2,1-4H3,(H,29,30,31,32)
InChIKeyJNRBPKTVELDCCF-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.76
Rot. Bonds7

About 2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine

2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine (PubChem CID 11487850) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine
PubChem CID11487850
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(Nc3nc(COCC(C)C)nc4nc(-c5ncccc5C)ccc34)ccc2o1
InChIInChI=1S/C26H26N6O2/c1-15(2)13-33-14-23-31-25(29-18-7-10-22-21(12-18)28-17(4)34-22)19-8-9-20(30-26(19)32-23)24-16(3)6-5-11-27-24/h5-12,15H,13-14H2,1-4H3,(H,29,30,31,32)
InChIKeyJNRBPKTVELDCCF-UHFFFAOYSA-N
XLogP5.76
TPSA98.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 22030130
N-(6-tert-butyl-3-pyridinyl)-2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 22030037
N-(6-tert-butyl-3-pyridinyl)-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 22030085
N-[4-(2-methyl-1-methyliminopropan-2-yl)phenyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 142908751
[4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol
CID 71093827
2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 11237732
1-[3,3-dimethyl-6-[[2-(2-methylpropoxymethyl)-7-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanone
CID 11340937
7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 10005778
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 11168118
2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 22030168
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901
2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 22030488

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine (CID 11487850) is 2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine is Cc1nc2cc(Nc3nc(COCC(C)C)nc4nc(-c5ncccc5C)ccc34)ccc2o1.
What is the InChIKey of 2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine?
The InChIKey is JNRBPKTVELDCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-15(2)13-33-14-23-31-25(29-18-7-10-22-21(12-18)28-17(4)34-22)19-8-9-20(30-26(19)32-23)24-16(3)6-5-11-27-24/h5-12,15H,13-14H2,1-4H3,(H,29,30,31,32).
What are the key properties of 2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine?
2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine has a molecular weight of 454.53 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 11487850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).