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

C14H23N5 — CID 72860282

IUPAC5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(CN2C[C@H](C3CC3)[C@@H](N)C2)cn1
InChIInChI=1S/C14H23N5/c1-2-16-14-17-5-10(6-18-14)7-19-8-12(11-3-4-11)13(15)9-19/h5-6,11-13H,2-4,7-9,15H2,1H3,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyNLKBDBMVSXVDCA-OLZOCXBDSA-N
MW261.37 g/mol
LogP1.08
Rot. Bonds5

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

5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine (PubChem CID 72860282) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine
PubChem CID72860282
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(CN2C[C@H](C3CC3)[C@@H](N)C2)cn1
InChIInChI=1S/C14H23N5/c1-2-16-14-17-5-10(6-18-14)7-19-8-12(11-3-4-11)13(15)9-19/h5-6,11-13H,2-4,7-9,15H2,1H3,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyNLKBDBMVSXVDCA-OLZOCXBDSA-N
XLogP1.08
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine (CID 72860282) is 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine is CCNc1ncc(CN2C[C@H](C3CC3)[C@@H](N)C2)cn1.
What is the InChIKey of 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine?
The InChIKey is NLKBDBMVSXVDCA-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-16-14-17-5-10(6-18-14)7-19-8-12(11-3-4-11)13(15)9-19/h5-6,11-13H,2-4,7-9,15H2,1H3,(H,16,17,18)/t12-,13+/m1/s1.
What are the key properties of 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine?
5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 72860282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).