5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine

C13H13BrClN3 — CID 65029433

IUPAC5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine
SMILESClCC(Cc1ccccc1)Nc1ncc(Br)cn1
InChIInChI=1S/C13H13BrClN3/c14-11-8-16-13(17-9-11)18-12(7-15)6-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7H2,(H,16,17,18)
InChIKeySVDYGMIUAMJYAO-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.50
Rot. Bonds5

About 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine

5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine (PubChem CID 65029433) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine
PubChem CID65029433
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine
SMILESClCC(Cc1ccccc1)Nc1ncc(Br)cn1
InChIInChI=1S/C13H13BrClN3/c14-11-8-16-13(17-9-11)18-12(7-15)6-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7H2,(H,16,17,18)
InChIKeySVDYGMIUAMJYAO-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine
CID 65029483
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine
CID 79717744
(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide
CID 97327412
N-benzhydryl-5-bromopyrimidin-2-amine
CID 63874353
2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63260770
N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine
CID 65028967
N-[2-(4-bromophenoxy)ethyl]-1-chloro-3-phenylpropan-2-amine
CID 65025362
(2S)-2-[(5-bromopyrimidin-2-yl)amino]-2-phenylethanol
CID 95179696
N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine
CID 65029274
N-(1-chloro-3-phenylpropan-2-yl)-3-ethyltriazol-4-amine
CID 114223426
N-[(2-bromophenyl)methyl]-1-chloro-3-phenylpropan-2-amine
CID 65026156
N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330687

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine (CID 65029433) is 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine is ClCC(Cc1ccccc1)Nc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is SVDYGMIUAMJYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c14-11-8-16-13(17-9-11)18-12(7-15)6-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7H2,(H,16,17,18).
What are the key properties of 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine?
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 326.63 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 65029433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).