6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine

C8H11ClN4 — CID 71639835

IUPAC6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESClc1cc(N[C@@H]2CCNC2)ncn1
InChIInChI=1S/C8H11ClN4/c9-7-3-8(12-5-11-7)13-6-1-2-10-4-6/h3,5-6,10H,1-2,4H2,(H,11,12,13)/t6-/m1/s1
InChIKeyKIDBWQBDLKKHNU-ZCFIWIBFSA-N
MW198.66 g/mol
LogP0.90
Rot. Bonds2

About 6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine

6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 71639835) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID71639835
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESClc1cc(N[C@@H]2CCNC2)ncn1
InChIInChI=1S/C8H11ClN4/c9-7-3-8(12-5-11-7)13-6-1-2-10-4-6/h3,5-6,10H,1-2,4H2,(H,11,12,13)/t6-/m1/s1
InChIKeyKIDBWQBDLKKHNU-ZCFIWIBFSA-N
XLogP0.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 67157079
6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 86318064
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
6-chloro-N-pyrrolidin-3-ylpyridin-2-amine
CID 78996740
6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 77233652
N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-amine
CID 112709889
2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71638529
6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
CID 126848416
6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine
CID 164653582
2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride
CID 71643662

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine (CID 71639835) is 6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine is Clc1cc(N[C@@H]2CCNC2)ncn1.
What is the InChIKey of 6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is KIDBWQBDLKKHNU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11ClN4/c9-7-3-8(12-5-11-7)13-6-1-2-10-4-6/h3,5-6,10H,1-2,4H2,(H,11,12,13)/t6-/m1/s1.
What are the key properties of 6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 198.66 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 71639835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).