2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine

C13H23N5 — CID 70721125

IUPAC2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine
SMILESCCC[C@@H]1CN(c2nccc(N)n2)C[C@H]1N(C)C
InChIInChI=1S/C13H23N5/c1-4-5-10-8-18(9-11(10)17(2)3)13-15-7-6-12(14)16-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,14,15,16)/t10-,11-/m1/s1
InChIKeyZFSDRDFLTOUQIY-GHMZBOCLSA-N
MW249.36 g/mol
LogP1.23
Rot. Bonds4

About 2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine

2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 70721125) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID70721125
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine
SMILESCCC[C@@H]1CN(c2nccc(N)n2)C[C@H]1N(C)C
InChIInChI=1S/C13H23N5/c1-4-5-10-8-18(9-11(10)17(2)3)13-15-7-6-12(14)16-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,14,15,16)/t10-,11-/m1/s1
InChIKeyZFSDRDFLTOUQIY-GHMZBOCLSA-N
XLogP1.23
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine
CID 126980763
(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 133110613
(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 72922661
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 154899337
2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
CID 107229189
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
(3S,4R)-1-[1-(7-fluoroquinazolin-2-yl)piperidin-4-yl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
CID 72929546
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 135110745
(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 165390561
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 156550348
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
CID 156538124

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine (CID 70721125) is 2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine is CCC[C@@H]1CN(c2nccc(N)n2)C[C@H]1N(C)C.
What is the InChIKey of 2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is ZFSDRDFLTOUQIY-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-5-10-8-18(9-11(10)17(2)3)13-15-7-6-12(14)16-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,14,15,16)/t10-,11-/m1/s1.
What are the key properties of 2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine?
2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 70721125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).