6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine

C16H17N5O — CID 66815428

IUPAC6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine
SMILESCC(C)Oc1nc(N)nc2ccc(Nc3ccccc3)nc12
InChIInChI=1S/C16H17N5O/c1-10(2)22-15-14-12(19-16(17)21-15)8-9-13(20-14)18-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyAPWVNRQSTKGMMT-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.14
Rot. Bonds4

About 6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine

6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine (PubChem CID 66815428) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine.

Molecular Properties

Compound Name6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine
PubChem CID66815428
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine
SMILESCC(C)Oc1nc(N)nc2ccc(Nc3ccccc3)nc12
InChIInChI=1S/C16H17N5O/c1-10(2)22-15-14-12(19-16(17)21-15)8-9-13(20-14)18-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyAPWVNRQSTKGMMT-UHFFFAOYSA-N
XLogP3.14
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine
CID 66815379
2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261575
4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol
CID 155563602
2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261396
2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107363647
N-(4-propan-2-yloxyphenyl)quinolin-2-amine
CID 82535846
2-N-(3,5-dimethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261617
6-ethoxy-2-N-phenylpyridine-2,5-diamine
CID 43261284
6-propan-2-yloxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 43261404
2-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 82798611
6-ethoxy-2-N-(4-propan-2-yloxyphenyl)pyridine-2,5-diamine
CID 43261775
6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 80919860

Frequently Asked Questions

What is the IUPAC name of 6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine?
The IUPAC name of 6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine (CID 66815428) is 6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine.
What is the SMILES notation for 6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine?
The canonical SMILES for 6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine is CC(C)Oc1nc(N)nc2ccc(Nc3ccccc3)nc12.
What is the InChIKey of 6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine?
The InChIKey is APWVNRQSTKGMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10(2)22-15-14-12(19-16(17)21-15)8-9-13(20-14)18-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,20)(H2,17,19,21).
What are the key properties of 6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine?
6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine has a molecular weight of 295.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine is sourced from PubChem (CID 66815428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).