5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine

C15H19BrN4 — CID 66298932

IUPAC5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(Cc2ccncc2)nc(C(C)C)c1Br
InChIInChI=1S/C15H19BrN4/c1-4-18-15-13(16)14(10(2)3)19-12(20-15)9-11-5-7-17-8-6-11/h5-8,10H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyPLAFDWZIAYTWME-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.78
Rot. Bonds5

About 5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine

5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 66298932) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID66298932
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(Cc2ccncc2)nc(C(C)C)c1Br
InChIInChI=1S/C15H19BrN4/c1-4-18-15-13(16)14(10(2)3)19-12(20-15)9-11-5-7-17-8-6-11/h5-8,10H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyPLAFDWZIAYTWME-UHFFFAOYSA-N
XLogP3.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine
CID 66300310
N-ethyl-5-iodo-2-[(4-methylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 66300931
2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine
CID 66300487
5-bromo-2-(methylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299727
2-[(3-chlorophenyl)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66299752
5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66296402
5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66303289
5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 107281456
5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66300703
2-benzyl-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300352
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66299705
5-bromo-2-(tert-butylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300696

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 66298932) is 5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine is CCNc1nc(Cc2ccncc2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is PLAFDWZIAYTWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-4-18-15-13(16)14(10(2)3)19-12(20-15)9-11-5-7-17-8-6-11/h5-8,10H,4,9H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 335.25 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66298932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).