N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C15H23N5 — CID 134537061

IUPACN-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCN1CC[C@@H](N(C)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C15H23N5/c1-3-4-8-20-9-6-12(10-20)19(2)15-13-5-7-16-14(13)17-11-18-15/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,16,17,18)/t12-/m1/s1
InChIKeyROZYLIXMTIMOHS-GFCCVEGCSA-N
MW273.38 g/mol
LogP2.27
Rot. Bonds5

About N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134537061) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID134537061
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCN1CC[C@@H](N(C)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C15H23N5/c1-3-4-8-20-9-6-12(10-20)19(2)15-13-5-7-16-14(13)17-11-18-15/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,16,17,18)/t12-/m1/s1
InChIKeyROZYLIXMTIMOHS-GFCCVEGCSA-N
XLogP2.27
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 134537061) is N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCCCN1CC[C@@H](N(C)c2ncnc3[nH]ccc23)C1.
What is the InChIKey of N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ROZYLIXMTIMOHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-4-8-20-9-6-12(10-20)19(2)15-13-5-7-16-14(13)17-11-18-15/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134537061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).