(3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine

C14H22N4 — CID 72873718

IUPAC(3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
SMILESCN(C)[C@H]1CN(Cc2ncccn2)C[C@@H]1C1CC1
InChIInChI=1S/C14H22N4/c1-17(2)13-9-18(8-12(13)11-4-5-11)10-14-15-6-3-7-16-14/h3,6-7,11-13H,4-5,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyAETHTEVTUIBJKC-OLZOCXBDSA-N
MW246.36 g/mol
LogP1.25
Rot. Bonds4

About (3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine

(3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 72873718) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
PubChem CID72873718
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name(3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
SMILESCN(C)[C@H]1CN(Cc2ncccn2)C[C@@H]1C1CC1
InChIInChI=1S/C14H22N4/c1-17(2)13-9-18(8-12(13)11-4-5-11)10-14-15-6-3-7-16-14/h3,6-7,11-13H,4-5,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyAETHTEVTUIBJKC-OLZOCXBDSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine (CID 72873718) is (3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine is CN(C)[C@H]1CN(Cc2ncccn2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is AETHTEVTUIBJKC-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H22N4/c1-17(2)13-9-18(8-12(13)11-4-5-11)10-14-15-6-3-7-16-14/h3,6-7,11-13H,4-5,8-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 246.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 72873718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).