4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine

C10H15ClN4 — CID 71640963

IUPAC4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCc1cc(Cl)nc(N(C)[C@@H]2CCNC2)n1
InChIInChI=1S/C10H15ClN4/c1-7-5-9(11)14-10(13-7)15(2)8-3-4-12-6-8/h5,8,12H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyRMRRNIJUCOGAFA-MRVPVSSYSA-N
MW226.71 g/mol
LogP1.24
Rot. Bonds2

About 4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine

4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 71640963) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID71640963
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCc1cc(Cl)nc(N(C)[C@@H]2CCNC2)n1
InChIInChI=1S/C10H15ClN4/c1-7-5-9(11)14-10(13-7)15(2)8-3-4-12-6-8/h5,8,12H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyRMRRNIJUCOGAFA-MRVPVSSYSA-N
XLogP1.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride
CID 71640856
2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71641175
6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride
CID 71643140
4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71639266
4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163214
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine
CID 80664747
N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine
CID 55204387
N,4,5-trimethyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
CID 65168398
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine;hydrochloride
CID 71638490
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71639162
N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116977522
4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine
CID 70892352

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine (CID 71640963) is 4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine is Cc1cc(Cl)nc(N(C)[C@@H]2CCNC2)n1.
What is the InChIKey of 4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is RMRRNIJUCOGAFA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-5-9(11)14-10(13-7)15(2)8-3-4-12-6-8/h5,8,12H,3-4,6H2,1-2H3/t8-/m1/s1.
What are the key properties of 4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine?
4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 226.71 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 71640963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).