N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine

C15H17N5 — CID 167817845

IUPACN-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
SMILESCC(C)CNc1nccc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C15H17N5/c1-10(2)9-19-15-18-8-5-13(20-15)11-3-6-16-14-12(11)4-7-17-14/h3-8,10H,9H2,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyYEQHQOFDJOPYFR-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.09
Rot. Bonds4

About N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine

N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine (PubChem CID 167817845) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
PubChem CID167817845
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
SMILESCC(C)CNc1nccc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C15H17N5/c1-10(2)9-19-15-18-8-5-13(20-15)11-3-6-16-14-12(11)4-7-17-14/h3-8,10H,9H2,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyYEQHQOFDJOPYFR-UHFFFAOYSA-N
XLogP3.09
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-dimethyl-3-pyridinyl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 56868663
N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 15952108
4-(6-fluoro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 11999615
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
N-(3-methoxypropyl)-2-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 68567951
N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide
CID 175807758
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 70774610
4-(1-ethyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 138500278
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol
CID 67132869

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine (CID 167817845) is N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine is CC(C)CNc1nccc(-c2ccnc3[nH]ccc23)n1.
What is the InChIKey of N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine?
The InChIKey is YEQHQOFDJOPYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10(2)9-19-15-18-8-5-13(20-15)11-3-6-16-14-12(11)4-7-17-14/h3-8,10H,9H2,1-2H3,(H,16,17)(H,18,19,20).
What are the key properties of N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine?
N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine has a molecular weight of 267.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 167817845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).