6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine

C10H15ClN4 — CID 97164330

IUPAC6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCN(C[C@H]1CCCN1)c1cc(Cl)ncn1
InChIInChI=1S/C10H15ClN4/c1-15(6-8-3-2-4-12-8)10-5-9(11)13-7-14-10/h5,7-8,12H,2-4,6H2,1H3/t8-/m1/s1
InChIKeyYMMALYIPKMHXDH-MRVPVSSYSA-N
MW226.71 g/mol
LogP1.32
Rot. Bonds3

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

6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 97164330) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
PubChem CID97164330
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCN(C[C@H]1CCCN1)c1cc(Cl)ncn1
InChIInChI=1S/C10H15ClN4/c1-15(6-8-3-2-4-12-8)10-5-9(11)13-7-14-10/h5,7-8,12H,2-4,6H2,1H3/t8-/m1/s1
InChIKeyYMMALYIPKMHXDH-MRVPVSSYSA-N
XLogP1.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71642006
6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97164469
6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine
CID 62856781
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 71641983
6-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 63860661
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride
CID 71641982
2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164149
2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164147
4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97164036
5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine
CID 97164291
5-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 71641969

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine (CID 97164330) is 6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine is CN(C[C@H]1CCCN1)c1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is YMMALYIPKMHXDH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-15(6-8-3-2-4-12-8)10-5-9(11)13-7-14-10/h5,7-8,12H,2-4,6H2,1H3/t8-/m1/s1.
What are the key properties of 6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 97164330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).