4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine

C21H26BrN3 — CID 19063905

IUPAC4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCN(c1ncc(C)c(-c2ccc(Br)cc2)n1)C(C1CC1)C1CC1
InChIInChI=1S/C21H26BrN3/c1-3-12-25(20(16-4-5-16)17-6-7-17)21-23-13-14(2)19(24-21)15-8-10-18(22)11-9-15/h8-11,13,16-17,20H,3-7,12H2,1-2H3
InChIKeyWDUGITGEMFNIMX-UHFFFAOYSA-N
MW400.36 g/mol
LogP5.62
Rot. Bonds7

About 4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine

4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 19063905) has the molecular formula C21H26BrN3 and a molecular weight of 400.36 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine
PubChem CID19063905
Molecular FormulaC21H26BrN3
Molecular Weight400.36 g/mol
Exact Mass399.13
IUPAC Name4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCN(c1ncc(C)c(-c2ccc(Br)cc2)n1)C(C1CC1)C1CC1
InChIInChI=1S/C21H26BrN3/c1-3-12-25(20(16-4-5-16)17-6-7-17)21-23-13-14(2)19(24-21)15-8-10-18(22)11-9-15/h8-11,13,16-17,20H,3-7,12H2,1-2H3
InChIKeyWDUGITGEMFNIMX-UHFFFAOYSA-N
XLogP5.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.36
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine (CID 19063905) is 4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine is CCCN(c1ncc(C)c(-c2ccc(Br)cc2)n1)C(C1CC1)C1CC1.
What is the InChIKey of 4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is WDUGITGEMFNIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3/c1-3-12-25(20(16-4-5-16)17-6-7-17)21-23-13-14(2)19(24-21)15-8-10-18(22)11-9-15/h8-11,13,16-17,20H,3-7,12H2,1-2H3.
What are the key properties of 4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine?
4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 400.36 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 19063905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).