2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

C13H13Cl2N3O — CID 162343021

IUPAC2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc([C@@H](C)Nc2nc(Cl)ncc2Cl)cc1
InChIInChI=1S/C13H13Cl2N3O/c1-8(9-3-5-10(19-2)6-4-9)17-12-11(14)7-16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18)/t8-/m1/s1
InChIKeyGILSBIURQRMZNJ-MRVPVSSYSA-N
MW298.17 g/mol
LogP3.97
Rot. Bonds4

About 2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 162343021) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID162343021
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc([C@@H](C)Nc2nc(Cl)ncc2Cl)cc1
InChIInChI=1S/C13H13Cl2N3O/c1-8(9-3-5-10(19-2)6-4-9)17-12-11(14)7-16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18)/t8-/m1/s1
InChIKeyGILSBIURQRMZNJ-MRVPVSSYSA-N
XLogP3.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 66244496
5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 103582571
N-[1-(4-bromophenyl)ethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80758542
2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 79632615
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]quinazolin-4-amine
CID 175678331
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 15916528
2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 79632585
methyl 2-[(2,5-dichloropyrimidin-4-yl)amino]propanoate
CID 79632906
N-[1-(4-methoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 66244498
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889
2,5-dichloro-N-methoxypyrimidin-4-amine
CID 135137744
2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
CID 106196590

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (CID 162343021) is 2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is COc1ccc([C@@H](C)Nc2nc(Cl)ncc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is GILSBIURQRMZNJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-8(9-3-5-10(19-2)6-4-9)17-12-11(14)7-16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18)/t8-/m1/s1.
What are the key properties of 2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 298.17 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 162343021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).