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

C19H23N5O — CID 135368532

IUPAC2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(C)(O)CC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C19H23N5O/c1-18(2,12-19(3,4)25)24-17-14-7-10-21-11-15(14)22-16(23-17)13-5-8-20-9-6-13/h5-11,25H,12H2,1-4H3,(H,22,23,24)
InChIKeyRQCQSMAAAMSVHQ-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.44
Rot. Bonds5

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

2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 135368532) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
PubChem CID135368532
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(C)(O)CC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C19H23N5O/c1-18(2,12-19(3,4)25)24-17-14-7-10-21-11-15(14)22-16(23-17)13-5-8-20-9-6-13/h5-11,25H,12H2,1-4H3,(H,22,23,24)
InChIKeyRQCQSMAAAMSVHQ-UHFFFAOYSA-N
XLogP3.44
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol (CID 135368532) is 2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol is CC(C)(O)CC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is RQCQSMAAAMSVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-18(2,12-19(3,4)25)24-17-14-7-10-21-11-15(14)22-16(23-17)13-5-8-20-9-6-13/h5-11,25H,12H2,1-4H3,(H,22,23,24).
What are the key properties of 2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol?
2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 337.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 135368532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).