N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine

C14H15BrClN3 — CID 63729625

IUPACN-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NCc1cccc(Br)c1
InChIInChI=1S/C14H15BrClN3/c1-9(2)12-13(16)18-8-19-14(12)17-7-10-4-3-5-11(15)6-10/h3-6,8-9H,7H2,1-2H3,(H,17,18,19)
InChIKeyKQEBSUCGXMJZFI-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.63
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine

N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63729625) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine
PubChem CID63729625
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC NameN-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NCc1cccc(Br)c1
InChIInChI=1S/C14H15BrClN3/c1-9(2)12-13(16)18-8-19-14(12)17-7-10-4-3-5-11(15)6-10/h3-6,8-9H,7H2,1-2H3,(H,17,18,19)
InChIKeyKQEBSUCGXMJZFI-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434
6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80790328
6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 106193436
5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193488
N-(1,3-benzodioxol-4-ylmethyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 106194177
N-[(3-bromophenyl)methyl]-4-propan-2-ylaniline
CID 29276780
N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine
CID 63541171
6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 106195237
N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine
CID 62141748
N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 79632289
5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
CID 79718282

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine (CID 63729625) is N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(Cl)ncnc1NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is KQEBSUCGXMJZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-9(2)12-13(16)18-8-19-14(12)17-7-10-4-3-5-11(15)6-10/h3-6,8-9H,7H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine?
N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 340.65 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63729625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).