N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

C15H16Cl2N4 — CID 112868580

IUPACN-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cc(Cl)cc(Cl)c2)cc(N2CCCC2)n1
InChIInChI=1S/C15H16Cl2N4/c1-10-18-14(9-15(19-10)21-4-2-3-5-21)20-13-7-11(16)6-12(17)8-13/h6-9H,2-5H2,1H3,(H,18,19,20)
InChIKeyVSEPSDRADMKRNO-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.44
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112868580) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112868580
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC NameN-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cc(Cl)cc(Cl)c2)cc(N2CCCC2)n1
InChIInChI=1S/C15H16Cl2N4/c1-10-18-14(9-15(19-10)21-4-2-3-5-21)20-13-7-11(16)6-12(17)8-13/h6-9H,2-5H2,1H3,(H,18,19,20)
InChIKeyVSEPSDRADMKRNO-UHFFFAOYSA-N
XLogP4.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868898
1-(4-chlorophenyl)-3-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50747982
N-(4-methoxyphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868530
N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868891
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748481
N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869918
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748367
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868535

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 112868580) is N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is Cc1nc(Nc2cc(Cl)cc(Cl)c2)cc(N2CCCC2)n1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is VSEPSDRADMKRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c1-10-18-14(9-15(19-10)21-4-2-3-5-21)20-13-7-11(16)6-12(17)8-13/h6-9H,2-5H2,1H3,(H,18,19,20).
What are the key properties of N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 323.23 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112868580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).