N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

C20H25N5O — CID 135368753

IUPACN-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)(COC(C)(C)C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C20H25N5O/c1-19(2,3)26-13-20(4,5)25-18-15-8-11-22-12-16(15)23-17(24-18)14-6-9-21-10-7-14/h6-12H,13H2,1-5H3,(H,23,24,25)
InChIKeySOBXNSZXUHKICP-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.09
Rot. Bonds5

About N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368753) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368753
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)(COC(C)(C)C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C20H25N5O/c1-19(2,3)26-13-20(4,5)25-18-15-8-11-22-12-16(15)23-17(24-18)14-6-9-21-10-7-14/h6-12H,13H2,1-5H3,(H,23,24,25)
InChIKeySOBXNSZXUHKICP-UHFFFAOYSA-N
XLogP4.09
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol
CID 135368578
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
2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 135368085
(2S)-3,3,3-trifluoro-2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 135368368
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]propan-1-ol
CID 172774618
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 172812602
4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile
CID 135368468
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 N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (CID 135368753) is N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is CC(C)(COC(C)(C)C)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is SOBXNSZXUHKICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-19(2,3)26-13-20(4,5)25-18-15-8-11-22-12-16(15)23-17(24-18)14-6-9-21-10-7-14/h6-12H,13H2,1-5H3,(H,23,24,25).
What are the key properties of N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 351.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).