5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine

C11H16BrN3O — CID 66304180

IUPAC5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(COC)nc(C2CC2)c1Br
InChIInChI=1S/C11H16BrN3O/c1-3-13-11-9(12)10(7-4-5-7)14-8(15-11)6-16-2/h7H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyQMQQFTJMJKXDLT-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.69
Rot. Bonds5

About 5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 66304180) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID66304180
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1nc(COC)nc(C2CC2)c1Br
InChIInChI=1S/C11H16BrN3O/c1-3-13-11-9(12)10(7-4-5-7)14-8(15-11)6-16-2/h7H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyQMQQFTJMJKXDLT-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66302752
5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine
CID 66304186
5-bromo-6-cyclopropyl-N-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine
CID 116777186
5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 80610799
5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66301916
6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine
CID 66304213
5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 66302144
5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine
CID 107504375
5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66301524
5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66299977
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine (CID 66304180) is 5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine is CCNc1nc(COC)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is QMQQFTJMJKXDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-3-13-11-9(12)10(7-4-5-7)14-8(15-11)6-16-2/h7H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 286.17 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 66304180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).