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

C15H15N5O — CID 172774618

IUPAC1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCCC(O)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C15H15N5O/c1-2-13(21)19-15-11-5-8-17-9-12(11)18-14(20-15)10-3-6-16-7-4-10/h3-9,13,21H,2H2,1H3,(H,18,19,20)
InChIKeyNKLVCWDAHPPSNB-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.23
Rot. Bonds4

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

1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol (PubChem CID 172774618) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
PubChem CID172774618
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCCC(O)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C15H15N5O/c1-2-13(21)19-15-11-5-8-17-9-12(11)18-14(20-15)10-3-6-16-7-4-10/h3-9,13,21H,2H2,1H3,(H,18,19,20)
InChIKeyNKLVCWDAHPPSNB-UHFFFAOYSA-N
XLogP2.23
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]propane-1,3-diol
CID 172812602
N-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368629
2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine
CID 152578272
2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 135368371
(2S)-2-N-methyl-1-phenyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 118224805
N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine
CID 59389582
2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 135368085
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
2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid
CID 135368674
2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 11771006

Frequently Asked Questions

What is the IUPAC name of 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol (CID 172774618) is 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol is CCC(O)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is NKLVCWDAHPPSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-13(21)19-15-11-5-8-17-9-12(11)18-14(20-15)10-3-6-16-7-4-10/h3-9,13,21H,2H2,1H3,(H,18,19,20).
What are the key properties of 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol?
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 281.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 172774618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).