N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine

C16H18Cl2N4 — CID 171998300

IUPACN-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H18Cl2N4/c1-21(16-4-6-19-11-20-16)14-5-7-22(10-14)9-12-2-3-13(17)8-15(12)18/h2-4,6,8,11,14H,5,7,9-10H2,1H3
InChIKeyWCYSHMSNNYMGMI-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.49
Rot. Bonds4

About N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine

N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine (PubChem CID 171998300) has the molecular formula C16H18Cl2N4 and a molecular weight of 337.25 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
PubChem CID171998300
Molecular FormulaC16H18Cl2N4
Molecular Weight337.25 g/mol
Exact Mass336.09
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H18Cl2N4/c1-21(16-4-6-19-11-20-16)14-5-7-22(10-14)9-12-2-3-13(17)8-15(12)18/h2-4,6,8,11,14H,5,7,9-10H2,1H3
InChIKeyWCYSHMSNNYMGMI-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 171995236
N-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902892
N-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidin-4-amine
CID 172902521
N-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902893
4-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 171998496
4-N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172900849
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine
CID 171997676
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171995913
N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888975
N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900242
N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995113
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine (CID 171998300) is N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine is CN(c1ccncn1)C1CCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine?
The InChIKey is WCYSHMSNNYMGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4/c1-21(16-4-6-19-11-20-16)14-5-7-22(10-14)9-12-2-3-13(17)8-15(12)18/h2-4,6,8,11,14H,5,7,9-10H2,1H3.
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine?
N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine has a molecular weight of 337.25 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 171998300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).