2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine

C14H23N5 — CID 72913368

IUPAC2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine
SMILESCc1cnc(N2C[C@H](C3CC3)[C@@H](N)C2)nc1N(C)C
InChIInChI=1S/C14H23N5/c1-9-6-16-14(17-13(9)18(2)3)19-7-11(10-4-5-10)12(15)8-19/h6,10-12H,4-5,7-8,15H2,1-3H3/t11-,12+/m1/s1
InChIKeyJQDJKBXJFAMWJD-NEPJUHHUSA-N
MW261.37 g/mol
LogP1.02
Rot. Bonds3

About 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine

2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine (PubChem CID 72913368) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine
PubChem CID72913368
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine
SMILESCc1cnc(N2C[C@H](C3CC3)[C@@H](N)C2)nc1N(C)C
InChIInChI=1S/C14H23N5/c1-9-6-16-14(17-13(9)18(2)3)19-7-11(10-4-5-10)12(15)8-19/h6,10-12H,4-5,7-8,15H2,1-3H3/t11-,12+/m1/s1
InChIKeyJQDJKBXJFAMWJD-NEPJUHHUSA-N
XLogP1.02
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine (CID 72913368) is 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine is Cc1cnc(N2C[C@H](C3CC3)[C@@H](N)C2)nc1N(C)C.
What is the InChIKey of 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine?
The InChIKey is JQDJKBXJFAMWJD-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H23N5/c1-9-6-16-14(17-13(9)18(2)3)19-7-11(10-4-5-10)12(15)8-19/h6,10-12H,4-5,7-8,15H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine?
2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 72913368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).