1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine

C15H17Cl2N3 — CID 62744527

IUPAC1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1ccnc(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H17Cl2N3/c1-2-12(18)9-13-5-6-19-15(20-13)7-10-3-4-11(16)8-14(10)17/h3-6,8,12H,2,7,9,18H2,1H3
InChIKeyNKHUZDMJJLWIDD-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.65
Rot. Bonds5

About 1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine

1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine (PubChem CID 62744527) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine
PubChem CID62744527
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1ccnc(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H17Cl2N3/c1-2-12(18)9-13-5-6-19-15(20-13)7-10-3-4-11(16)8-14(10)17/h3-6,8,12H,2,7,9,18H2,1H3
InChIKeyNKHUZDMJJLWIDD-UHFFFAOYSA-N
XLogP3.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine
CID 62744170
1-[2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]butan-2-amine
CID 65133488
(1S)-1-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900000
1-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 43470442
1-(2-butan-2-ylpyrimidin-4-yl)butan-2-amine
CID 63717252
1-[4-[(4-chlorophenyl)methyl]pyrimidin-2-yl]propan-2-amine
CID 82666283
3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346217
1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine
CID 79751664
1-(2,4-dichlorophenyl)-3,3-dimethylpentan-2-amine
CID 115840191
5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 3779331
1-[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866455
1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine
CID 170889254

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine?
The IUPAC name of 1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine (CID 62744527) is 1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine.
What is the SMILES notation for 1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine?
The canonical SMILES for 1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine is CCC(N)Cc1ccnc(Cc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine?
The InChIKey is NKHUZDMJJLWIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-2-12(18)9-13-5-6-19-15(20-13)7-10-3-4-11(16)8-14(10)17/h3-6,8,12H,2,7,9,18H2,1H3.
What are the key properties of 1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine?
1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine has a molecular weight of 310.23 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dichlorophenyl)methyl]pyrimidin-4-yl]butan-2-amine is sourced from PubChem (CID 62744527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).