(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride

C11H19ClN4 — CID 154899337

IUPAC(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
SMILESCCC[C@H]1CN(c2ncccn2)C[C@@H]1N.Cl
InChIInChI=1S/C11H18N4.ClH/c1-2-4-9-7-15(8-10(9)12)11-13-5-3-6-14-11;/h3,5-6,9-10H,2,4,7-8,12H2,1H3;1H/t9-,10-;/m0./s1
InChIKeyBRGQQJZZFCQZHJ-IYPAPVHQSA-N
MW242.75 g/mol
LogP1.46
Rot. Bonds3

About (3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride

(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride (PubChem CID 154899337) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is (3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
PubChem CID154899337
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
SMILESCCC[C@H]1CN(c2ncccn2)C[C@@H]1N.Cl
InChIInChI=1S/C11H18N4.ClH/c1-2-4-9-7-15(8-10(9)12)11-13-5-3-6-14-11;/h3,5-6,9-10H,2,4,7-8,12H2,1H3;1H/t9-,10-;/m0./s1
InChIKeyBRGQQJZZFCQZHJ-IYPAPVHQSA-N
XLogP1.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 72922661
(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 133110613
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine
CID 130965270
2-(3,4-dimethylpyrrolidin-1-yl)pyrimidine
CID 130659210
1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
CID 155858524
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
butane;2-piperazin-1-ylpyrimidine
CID 144912345
[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 133110620
1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one
CID 141278198
2-(3-propan-2-ylazetidin-1-yl)pyrimidine
CID 130933035
ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
CID 78964151

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride (CID 154899337) is (3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride is CCC[C@H]1CN(c2ncccn2)C[C@@H]1N.Cl.
What is the InChIKey of (3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride?
The InChIKey is BRGQQJZZFCQZHJ-IYPAPVHQSA-N. The full InChI is InChI=1S/C11H18N4.ClH/c1-2-4-9-7-15(8-10(9)12)11-13-5-3-6-14-11;/h3,5-6,9-10H,2,4,7-8,12H2,1H3;1H/t9-,10-;/m0./s1.
What are the key properties of (3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride?
(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 154899337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).