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

C17H19N5O — CID 135368356

IUPAC3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCC(C)(CCO)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C17H19N5O/c1-17(2,6-10-23)22-16-13-5-9-19-11-14(13)20-15(21-16)12-3-7-18-8-4-12/h3-5,7-9,11,23H,6,10H2,1-2H3,(H,20,21,22)
InChIKeyYXFRTVUVQNPAHF-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.66
Rot. Bonds5

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

3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol (PubChem CID 135368356) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
PubChem CID135368356
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCC(C)(CCO)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C17H19N5O/c1-17(2,6-10-23)22-16-13-5-9-19-11-14(13)20-15(21-16)12-3-7-18-8-4-12/h3-5,7-9,11,23H,6,10H2,1-2H3,(H,20,21,22)
InChIKeyYXFRTVUVQNPAHF-UHFFFAOYSA-N
XLogP2.66
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

Selgantolimod
CID 122585383
4-[(3-Bromophenyl)amino]-6-[(2-hydroxyethyl)amino]-pyrido[3,4-d]pyrimidine
CID 5328350
4-[(3-Bromophenyl)amino]-6-[N-(2-hydroxyethyl)-N-methylamino]pyrido[3,4-d]pyrimidine
CID 5328351
4-[(3-Bromophenyl)amino]-6-[(2,3-dihydroxypropyl)-amino]pyrido[3,4-d]pyrimidine
CID 5328352
4-[(3-Bromophenyl)amino]-6-[N-(2,3-dihydroxypropyl)-N-methylamino]pyrido[3,4-d]pyrimidine
CID 5328353
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
4-[(3-Bromophenyl)amino]-6-[[2-[N,N-bis(2-hydroxyethyl)amino]ethyl]amino]pyrido[3,4-d]pyrimidine
CID 5328363
4-[(3-Bromophenyl)amino]-6-[[3-[N,N-bis(2-hydroxyethyl)amino]propyl]amino]pyrido[3,4-d]pyrimidine
CID 5328364
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
4-Anilino quinazoline deriv. 18
CID 5328017

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol (CID 135368356) is 3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol is CC(C)(CCO)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is YXFRTVUVQNPAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-17(2,6-10-23)22-16-13-5-9-19-11-14(13)20-15(21-16)12-3-7-18-8-4-12/h3-5,7-9,11,23H,6,10H2,1-2H3,(H,20,21,22).
What are the key properties of 3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol?
3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 135368356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).