(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine

C17H27N5O — CID 72873173

IUPAC(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
SMILESCCc1cc(N2C[C@H](C3CC3)[C@@H](N)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H27N5O/c1-2-13-9-16(20-17(19-13)21-5-7-23-8-6-21)22-10-14(12-3-4-12)15(18)11-22/h9,12,14-15H,2-8,10-11,18H2,1H3/t14-,15+/m1/s1
InChIKeyYWWNMEGXYAMPGP-CABCVRRESA-N
MW317.44 g/mol
LogP1.05
Rot. Bonds4

About (3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine

(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 72873173) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID72873173
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
SMILESCCc1cc(N2C[C@H](C3CC3)[C@@H](N)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H27N5O/c1-2-13-9-16(20-17(19-13)21-5-7-23-8-6-21)22-10-14(12-3-4-12)15(18)11-22/h9,12,14-15H,2-8,10-11,18H2,1H3/t14-,15+/m1/s1
InChIKeyYWWNMEGXYAMPGP-CABCVRRESA-N
XLogP1.05
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine (CID 72873173) is (3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine is CCc1cc(N2C[C@H](C3CC3)[C@@H](N)C2)nc(N2CCOCC2)n1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is YWWNMEGXYAMPGP-CABCVRRESA-N. The full InChI is InChI=1S/C17H27N5O/c1-2-13-9-16(20-17(19-13)21-5-7-23-8-6-21)22-10-14(12-3-4-12)15(18)11-22/h9,12,14-15H,2-8,10-11,18H2,1H3/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 317.44 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 72873173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).