(3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine

C15H24N4O — CID 72858998

IUPAC(3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine
SMILESCOCCc1ncc(CN2C[C@H](C3CC3)[C@@H](N)C2)cn1
InChIInChI=1S/C15H24N4O/c1-20-5-4-15-17-6-11(7-18-15)8-19-9-13(12-2-3-12)14(16)10-19/h6-7,12-14H,2-5,8-10,16H2,1H3/t13-,14+/m1/s1
InChIKeyNNDWSRIOHNYXQK-KGLIPLIRSA-N
MW276.38 g/mol
LogP0.83
Rot. Bonds6

About (3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine

(3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine (PubChem CID 72858998) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine
PubChem CID72858998
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine
SMILESCOCCc1ncc(CN2C[C@H](C3CC3)[C@@H](N)C2)cn1
InChIInChI=1S/C15H24N4O/c1-20-5-4-15-17-6-11(7-18-15)8-19-9-13(12-2-3-12)14(16)10-19/h6-7,12-14H,2-5,8-10,16H2,1H3/t13-,14+/m1/s1
InChIKeyNNDWSRIOHNYXQK-KGLIPLIRSA-N
XLogP0.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine (CID 72858998) is (3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine is COCCc1ncc(CN2C[C@H](C3CC3)[C@@H](N)C2)cn1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine?
The InChIKey is NNDWSRIOHNYXQK-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H24N4O/c1-20-5-4-15-17-6-11(7-18-15)8-19-9-13(12-2-3-12)14(16)10-19/h6-7,12-14H,2-5,8-10,16H2,1H3/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine has a molecular weight of 276.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 72858998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).