N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine

C14H15BrFN3 — CID 61240558

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCc2cc(F)ccc2Br)ncn1
InChIInChI=1S/C14H15BrFN3/c1-9(2)13-6-14(19-8-18-13)17-7-10-5-11(16)3-4-12(10)15/h3-6,8-9H,7H2,1-2H3,(H,17,18,19)
InChIKeyDVOCNIJNQUGRDC-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.11
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine

N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 61240558) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID61240558
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCc2cc(F)ccc2Br)ncn1
InChIInChI=1S/C14H15BrFN3/c1-9(2)13-6-14(19-8-18-13)17-7-10-5-11(16)3-4-12(10)15/h3-6,8-9H,7H2,1-2H3,(H,17,18,19)
InChIKeyDVOCNIJNQUGRDC-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 64695520
N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240171
N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 62368631
6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 106193594
N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 62614721
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106193591
N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66325616
(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
3-[(2-bromo-5-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 115866772

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 61240558) is N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCc2cc(F)ccc2Br)ncn1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is DVOCNIJNQUGRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-9(2)13-6-14(19-8-18-13)17-7-10-5-11(16)3-4-12(10)15/h3-6,8-9H,7H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 324.20 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 61240558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).