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

C20H25N5O2 — CID 135368578

IUPAC2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol
SMILESCC(C)(O)COCC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C20H25N5O2/c1-19(2,12-27-13-20(3,4)26)25-18-15-7-10-22-11-16(15)23-17(24-18)14-5-8-21-9-6-14/h5-11,26H,12-13H2,1-4H3,(H,23,24,25)
InChIKeyTWSFYAXEDIOFFN-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.06
Rot. Bonds7

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

2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol (PubChem CID 135368578) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol
PubChem CID135368578
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol
SMILESCC(C)(O)COCC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C20H25N5O2/c1-19(2,12-27-13-20(3,4)26)25-18-15-7-10-22-11-16(15)23-17(24-18)14-5-8-21-9-6-14/h5-11,26H,12-13H2,1-4H3,(H,23,24,25)
InChIKeyTWSFYAXEDIOFFN-UHFFFAOYSA-N
XLogP3.06
TPSA93.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368753
2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 135368371
2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid
CID 135368674
N-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368629
(2S)-3,3,3-trifluoro-2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 135368368
2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 135368085
4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile
CID 135368468
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 172774618
2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine
CID 152578272
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 172812602
2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 11771006
3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 137350738

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol?
The IUPAC name of 2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol (CID 135368578) is 2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol?
The canonical SMILES for 2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol is CC(C)(O)COCC(C)(C)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol?
The InChIKey is TWSFYAXEDIOFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-19(2,12-27-13-20(3,4)26)25-18-15-7-10-22-11-16(15)23-17(24-18)14-5-8-21-9-6-14/h5-11,26H,12-13H2,1-4H3,(H,23,24,25).
What are the key properties of 2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol?
2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol has a molecular weight of 367.45 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol is sourced from PubChem (CID 135368578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).