6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride

C10H16Cl2N4 — CID 71642006

IUPAC6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCN(CC1CCCN1)c1cc(Cl)ncn1.Cl
InChIInChI=1S/C10H15ClN4.ClH/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;1H
InChIKeyFEJICXKBFACHEK-UHFFFAOYSA-N
MW263.17 g/mol
LogP1.74
Rot. Bonds3

About 6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride

6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride (PubChem CID 71642006) has the molecular formula C10H16Cl2N4 and a molecular weight of 263.17 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
PubChem CID71642006
Molecular FormulaC10H16Cl2N4
Molecular Weight263.17 g/mol
Exact Mass262.08
IUPAC Name6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCN(CC1CCCN1)c1cc(Cl)ncn1.Cl
InChIInChI=1S/C10H15ClN4.ClH/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;1H
InChIKeyFEJICXKBFACHEK-UHFFFAOYSA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97164330
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;hydrochloride
CID 71641982
2-chloro-N,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71641823
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-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride (CID 71642006) is 6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride is CN(CC1CCCN1)c1cc(Cl)ncn1.Cl.
What is the InChIKey of 6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
The InChIKey is FEJICXKBFACHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4.ClH/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;1H.
What are the key properties of 6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride has a molecular weight of 263.17 g/mol, XLogP of 1.74, 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-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 71642006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).