(3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine

C14H14Cl2N4 — CID 23647097

IUPAC(3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine
SMILESN[C@H]1CN(c2ncccn2)C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N4/c15-9-2-3-10(12(16)6-9)11-7-20(8-13(11)17)14-18-4-1-5-19-14/h1-6,11,13H,7-8,17H2/t11-,13+/m1/s1
InChIKeyXDFIFHVICUYMGV-YPMHNXCESA-N
MW309.20 g/mol
LogP2.71
Rot. Bonds2

About (3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine

(3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine (PubChem CID 23647097) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is (3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine
PubChem CID23647097
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC Name(3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine
SMILESN[C@H]1CN(c2ncccn2)C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N4/c15-9-2-3-10(12(16)6-9)11-7-20(8-13(11)17)14-18-4-1-5-19-14/h1-6,11,13H,7-8,17H2/t11-,13+/m1/s1
InChIKeyXDFIFHVICUYMGV-YPMHNXCESA-N
XLogP2.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 5-(p-chlorophenyl)-2,4-diamino-
CID 204821
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
CID 2766552
(3S)-1-(5-bromopyrimidin-2-yl)-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11503055
N-(4-Chlorobenzyl)pyrimidin-2-amine
CID 4882447
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-[2-(pyrrolidin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidin-4-amine
CID 127047356
2-[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 2838383
5-(2,4-Dichlorobenzyl)-2-(2-pyridinyl)-4,6-pyrimidinediamine
CID 3379829
(2-(2-Chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11538961
(2-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11704411
(5-(2,4-Dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11716483
4-(2,4-Dichlorophenyl)-1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-amine
CID 11998979

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine (CID 23647097) is (3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine is N[C@H]1CN(c2ncccn2)C[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of (3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine?
The InChIKey is XDFIFHVICUYMGV-YPMHNXCESA-N. The full InChI is InChI=1S/C14H14Cl2N4/c15-9-2-3-10(12(16)6-9)11-7-20(8-13(11)17)14-18-4-1-5-19-14/h1-6,11,13H,7-8,17H2/t11-,13+/m1/s1.
What are the key properties of (3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine?
(3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine has a molecular weight of 309.20 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 23647097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).