1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol

C15H15N5O2 — CID 172812602

IUPAC1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol
SMILESOCCC(O)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C15H15N5O2/c21-8-4-13(22)19-15-11-3-7-17-9-12(11)18-14(20-15)10-1-5-16-6-2-10/h1-3,5-7,9,13,21-22H,4,8H2,(H,18,19,20)
InChIKeySJQWLQWWEIJNLN-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.20
Rot. Bonds5

About 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol

1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol (PubChem CID 172812602) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol
PubChem CID172812602
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol
SMILESOCCC(O)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C15H15N5O2/c21-8-4-13(22)19-15-11-3-7-17-9-12(11)18-14(20-15)10-1-5-16-6-2-10/h1-3,5-7,9,13,21-22H,4,8H2,(H,18,19,20)
InChIKeySJQWLQWWEIJNLN-UHFFFAOYSA-N
XLogP1.20
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 172774618
2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 135368371
2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine
CID 152578272
N-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368629
(2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 118224805
2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 135368085
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648
2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 11771006
2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol
CID 135368578
N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368753
N-[1-phenyl-1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 118271556
(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
CID 11150616

Frequently Asked Questions

What is the IUPAC name of 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol (CID 172812602) is 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol is OCCC(O)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol?
The InChIKey is SJQWLQWWEIJNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-8-4-13(22)19-15-11-3-7-17-9-12(11)18-14(20-15)10-1-5-16-6-2-10/h1-3,5-7,9,13,21-22H,4,8H2,(H,18,19,20).
What are the key properties of 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol?
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol has a molecular weight of 297.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 172812602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).