(3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine

C8H11ClN4 — CID 71643772

IUPAC(3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2nccc(Cl)n2)C1
InChIInChI=1S/C8H11ClN4/c9-7-1-3-11-8(12-7)13-4-2-6(10)5-13/h1,3,6H,2,4-5,10H2/t6-/m1/s1
InChIKeyVQNRQVYJCSXIRN-ZCFIWIBFSA-N
MW198.66 g/mol
LogP0.67
Rot. Bonds1

About (3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine

(3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine (PubChem CID 71643772) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is (3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine
PubChem CID71643772
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name(3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2nccc(Cl)n2)C1
InChIInChI=1S/C8H11ClN4/c9-7-1-3-11-8(12-7)13-4-2-6(10)5-13/h1,3,6H,2,4-5,10H2/t6-/m1/s1
InChIKeyVQNRQVYJCSXIRN-ZCFIWIBFSA-N
XLogP0.67
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloropyrimidin-2-yl)azetidin-3-amine;hydrochloride
CID 142754452
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
4-chloro-2-(4-methylpiperidin-1-yl)pyrimidine
CID 130067368
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-amine
CID 71643947
[1-(4-chloropyrimidin-2-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 87372576
1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278648
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine
CID 176574621
1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
CID 83838028
(3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 67247216

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine (CID 71643772) is (3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine is N[C@@H]1CCN(c2nccc(Cl)n2)C1.
What is the InChIKey of (3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine?
The InChIKey is VQNRQVYJCSXIRN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11ClN4/c9-7-1-3-11-8(12-7)13-4-2-6(10)5-13/h1,3,6H,2,4-5,10H2/t6-/m1/s1.
What are the key properties of (3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine?
(3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine has a molecular weight of 198.66 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 71643772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).