5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine

C16H19BrN4 — CID 107504375

IUPAC5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2cc(C)nc(C)c2)nc(C2CC2)c1Br
InChIInChI=1S/C16H19BrN4/c1-4-18-16-13(17)14(11-5-6-11)20-15(21-16)12-7-9(2)19-10(3)8-12/h7-8,11H,4-6H2,1-3H3,(H,18,20,21)
InChIKeyKPGGDPHQNLKSOA-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.23
Rot. Bonds4

About 5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine (PubChem CID 107504375) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine
PubChem CID107504375
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2cc(C)nc(C)c2)nc(C2CC2)c1Br
InChIInChI=1S/C16H19BrN4/c1-4-18-16-13(17)14(11-5-6-11)20-15(21-16)12-7-9(2)19-10(3)8-12/h7-8,11H,4-6H2,1-3H3,(H,18,20,21)
InChIKeyKPGGDPHQNLKSOA-UHFFFAOYSA-N
XLogP4.23
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 105410496
5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 66302548
3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol
CID 66295900
5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine
CID 66295909
5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 66295910
5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 114331016
5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 66303166
5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 79980369
5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66302752
5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 66304180
5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 102844082
5-bromo-6-cyclopropyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66303575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine (CID 107504375) is 5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine is CCNc1nc(-c2cc(C)nc(C)c2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine?
The InChIKey is KPGGDPHQNLKSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c1-4-18-16-13(17)14(11-5-6-11)20-15(21-16)12-7-9(2)19-10(3)8-12/h7-8,11H,4-6H2,1-3H3,(H,18,20,21).
What are the key properties of 5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine has a molecular weight of 347.26 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 107504375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).