5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine

C21H24N6O — CID 123768647

IUPAC5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine
SMILESCC(C)C1N=C(c2ccc3onc(NC4CC4)c3c2)c2c(N)ncnc2C1C
InChIInChI=1S/C21H24N6O/c1-10(2)17-11(3)18-16(20(22)24-9-23-18)19(26-17)12-4-7-15-14(8-12)21(27-28-15)25-13-5-6-13/h4,7-11,13,17H,5-6H2,1-3H3,(H,25,27)(H2,22,23,24)
InChIKeyBNXCKOYMEUOIEL-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.75
Rot. Bonds4

About 5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine

5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine (PubChem CID 123768647) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine
PubChem CID123768647
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine
SMILESCC(C)C1N=C(c2ccc3onc(NC4CC4)c3c2)c2c(N)ncnc2C1C
InChIInChI=1S/C21H24N6O/c1-10(2)17-11(3)18-16(20(22)24-9-23-18)19(26-17)12-4-7-15-14(8-12)21(27-28-15)25-13-5-6-13/h4,7-11,13,17H,5-6H2,1-3H3,(H,25,27)(H2,22,23,24)
InChIKeyBNXCKOYMEUOIEL-UHFFFAOYSA-N
XLogP3.75
TPSA102.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971417
3-(3,5-dimethylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971419
N-[4-[[[6-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide
CID 17757086
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3233528
6-(3,5-dimethylisoxazol-4-yl)-N-(3-methylbenzyl)quinazolin-4-amine
CID 3234644
3-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 16023276
N-(cyclopropylmethyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine
CID 16682187
6-(3,5-dimethylisoxazol-4-yl)-N-(3-fluorobenzyl)quinazolin-4-amine
CID 17757070
7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 24900557
N1-(4-(benzo[d]isoxazol-3-yl)pyrimidin-2-yl)-6-methylbenzene-1,3-diamine
CID 44420000
3-(3-aminobenzo[d]isoxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905279
N-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 16759567

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine?
The IUPAC name of 5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine (CID 123768647) is 5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine?
The canonical SMILES for 5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine is CC(C)C1N=C(c2ccc3onc(NC4CC4)c3c2)c2c(N)ncnc2C1C.
What is the InChIKey of 5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine?
The InChIKey is BNXCKOYMEUOIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-10(2)17-11(3)18-16(20(22)24-9-23-18)19(26-17)12-4-7-15-14(8-12)21(27-28-15)25-13-5-6-13/h4,7-11,13,17H,5-6H2,1-3H3,(H,25,27)(H2,22,23,24).
What are the key properties of 5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine?
5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine has a molecular weight of 376.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-8-methyl-7-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl)-N-cyclopropyl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 123768647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).