(3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine

C15H26N4 — CID 72910642

IUPAC(3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(c2cc(C(C)C)nc(C)n2)C[C@@H]1N
InChIInChI=1S/C15H26N4/c1-5-6-12-8-19(9-13(12)16)15-7-14(10(2)3)17-11(4)18-15/h7,10,12-13H,5-6,8-9,16H2,1-4H3/t12-,13-/m0/s1
InChIKeyPUZCYFZKGPWILE-STQMWFEESA-N
MW262.40 g/mol
LogP2.47
Rot. Bonds4

About (3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine

(3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine (PubChem CID 72910642) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine
PubChem CID72910642
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(c2cc(C(C)C)nc(C)n2)C[C@@H]1N
InChIInChI=1S/C15H26N4/c1-5-6-12-8-19(9-13(12)16)15-7-14(10(2)3)17-11(4)18-15/h7,10,12-13H,5-6,8-9,16H2,1-4H3/t12-,13-/m0/s1
InChIKeyPUZCYFZKGPWILE-STQMWFEESA-N
XLogP2.47
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine (CID 72910642) is (3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine is CCC[C@H]1CN(c2cc(C(C)C)nc(C)n2)C[C@@H]1N.
What is the InChIKey of (3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine?
The InChIKey is PUZCYFZKGPWILE-STQMWFEESA-N. The full InChI is InChI=1S/C15H26N4/c1-5-6-12-8-19(9-13(12)16)15-7-14(10(2)3)17-11(4)18-15/h7,10,12-13H,5-6,8-9,16H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine?
(3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-4-propylpyrrolidin-3-amine is sourced from PubChem (CID 72910642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).