5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine

C13H13N7 — CID 162364990

IUPAC5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncc(-c2cn(C3CC3)c3ncnc(N)c23)cn1
InChIInChI=1S/C13H13N7/c14-11-10-9(7-3-16-13(15)17-4-7)5-20(8-1-2-8)12(10)19-6-18-11/h3-6,8H,1-2H2,(H2,14,18,19)(H2,15,16,17)
InChIKeyLPBJUYXCRGYXKR-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.39
Rot. Bonds2

About 5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine

5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 162364990) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID162364990
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncc(-c2cn(C3CC3)c3ncnc(N)c23)cn1
InChIInChI=1S/C13H13N7/c14-11-10-9(7-3-16-13(15)17-4-7)5-20(8-1-2-8)12(10)19-6-18-11/h3-6,8H,1-2H2,(H2,14,18,19)(H2,15,16,17)
InChIKeyLPBJUYXCRGYXKR-UHFFFAOYSA-N
XLogP1.39
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54434264
[4-[4-amino-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]cyanamide
CID 145011188
1-[4-[4-amino-5-(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 59633608
5-[4-(4-methylphenoxy)phenyl]-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156857280
4-[4-amino-5-(4-amino-3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-one
CID 22736390
5-(4-amino-3-fluorophenyl)-7-[4-(dipropylamino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 143087740
7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 139331158
5-[3-fluoro-4-(methylamino)phenyl]-7-(1-methylpiperidin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 166871957
3-[4-amino-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
CID 18792861
[1-amino-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanol
CID 22736412
5-(1,3-benzodioxol-5-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155569461
N,N-bis[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]acetamide
CID 175332411

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine (CID 162364990) is 5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncc(-c2cn(C3CC3)c3ncnc(N)c23)cn1.
What is the InChIKey of 5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LPBJUYXCRGYXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c14-11-10-9(7-3-16-13(15)17-4-7)5-20(8-1-2-8)12(10)19-6-18-11/h3-6,8H,1-2H2,(H2,14,18,19)(H2,15,16,17).
What are the key properties of 5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine?
5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 267.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 162364990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).