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

C24H30N6O2 — CID 46199742

IUPAC4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCCN(CC1CCCO1)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(C)CC2
InChIInChI=1S/C24H30N6O2/c1-3-30(14-19-5-4-12-31-19)23-20-15-29(2)11-10-21(20)27-24(28-23)26-18-8-6-17(7-9-18)22-13-25-16-32-22/h6-9,13,16,19H,3-5,10-12,14-15H2,1-2H3,(H,26,27,28)
InChIKeyOQNXVKXSMKOVEE-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.87
Rot. Bonds7

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

4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 46199742) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID46199742
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCCN(CC1CCCO1)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(C)CC2
InChIInChI=1S/C24H30N6O2/c1-3-30(14-19-5-4-12-31-19)23-20-15-29(2)11-10-21(20)27-24(28-23)26-18-8-6-17(7-9-18)22-13-25-16-32-22/h6-9,13,16,19H,3-5,10-12,14-15H2,1-2H3,(H,26,27,28)
InChIKeyOQNXVKXSMKOVEE-UHFFFAOYSA-N
XLogP3.87
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-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 4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine (CID 46199742) is 4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine is CCN(CC1CCCO1)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(C)CC2.
What is the InChIKey of 4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is OQNXVKXSMKOVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-3-30(14-19-5-4-12-31-19)23-20-15-29(2)11-10-21(20)27-24(28-23)26-18-8-6-17(7-9-18)22-13-25-16-32-22/h6-9,13,16,19H,3-5,10-12,14-15H2,1-2H3,(H,26,27,28).
What are the key properties of 4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 434.54 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 46199742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).