6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

C23H28N6O2 — CID 46199895

IUPAC6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NCC3CCOCC3)c2C1
InChIInChI=1S/C23H28N6O2/c1-29-9-6-20-19(14-29)22(25-12-16-7-10-30-11-8-16)28-23(27-20)26-18-4-2-17(3-5-18)21-13-24-15-31-21/h2-5,13,15-16H,6-12,14H2,1H3,(H2,25,26,27,28)
InChIKeyZCRBPYWKJOGBBW-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.70
Rot. Bonds6

About 6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 46199895) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID46199895
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NCC3CCOCC3)c2C1
InChIInChI=1S/C23H28N6O2/c1-29-9-6-20-19(14-29)22(25-12-16-7-10-30-11-8-16)28-23(27-20)26-18-4-2-17(3-5-18)21-13-24-15-31-21/h2-5,13,15-16H,6-12,14H2,1H3,(H2,25,26,27,28)
InChIKeyZCRBPYWKJOGBBW-UHFFFAOYSA-N
XLogP3.70
TPSA88.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine (CID 46199895) is 6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine is CN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NCC3CCOCC3)c2C1.
What is the InChIKey of 6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is ZCRBPYWKJOGBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-29-9-6-20-19(14-29)22(25-12-16-7-10-30-11-8-16)28-23(27-20)26-18-4-2-17(3-5-18)21-13-24-15-31-21/h2-5,13,15-16H,6-12,14H2,1H3,(H2,25,26,27,28).
What are the key properties of 6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 420.52 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 46199895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).