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

C16H17N5O — CID 135368381

IUPAC2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C16H17N5O/c1-2-12(10-22)19-16-13-5-8-18-9-14(13)20-15(21-16)11-3-6-17-7-4-11/h3-9,12,22H,2,10H2,1H3,(H,19,20,21)
InChIKeyPIYAEDUBKKRBBX-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.27
Rot. Bonds5

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

2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol (PubChem CID 135368381) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
PubChem CID135368381
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C16H17N5O/c1-2-12(10-22)19-16-13-5-8-18-9-14(13)20-15(21-16)11-3-6-17-7-4-11/h3-9,12,22H,2,10H2,1H3,(H,19,20,21)
InChIKeyPIYAEDUBKKRBBX-UHFFFAOYSA-N
XLogP2.27
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol (CID 135368381) is 2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol is CCC(CO)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is PIYAEDUBKKRBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-12(10-22)19-16-13-5-8-18-9-14(13)20-15(21-16)11-3-6-17-7-4-11/h3-9,12,22H,2,10H2,1H3,(H,19,20,21).
What are the key properties of 2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol?
2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 295.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 135368381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).