5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine

C16H18BrN3O — CID 66298979

IUPAC5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine
SMILESCOCc1nc(C2(c3ccccc3)CCC2)nc(N)c1Br
InChIInChI=1S/C16H18BrN3O/c1-21-10-12-13(17)14(18)20-15(19-12)16(8-5-9-16)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,18,19,20)
InChIKeyZPDLZXARSABZGU-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.44
Rot. Bonds4

About 5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine

5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine (PubChem CID 66298979) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine
PubChem CID66298979
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine
SMILESCOCc1nc(C2(c3ccccc3)CCC2)nc(N)c1Br
InChIInChI=1S/C16H18BrN3O/c1-21-10-12-13(17)14(18)20-15(19-12)16(8-5-9-16)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,18,19,20)
InChIKeyZPDLZXARSABZGU-UHFFFAOYSA-N
XLogP3.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine
CID 66293144
5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 66304571
4-(1-phenylcyclobutyl)-6-propyl-1,3,5-triazin-2-amine
CID 63867893
4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine
CID 63867465
4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
CID 116640865
1-tert-butyl-5-(methoxymethyl)-3-(1-phenylcyclopropyl)-1,2,4-triazole
CID 72863705
5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 66300553
6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 112681528
2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 63080790
6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine
CID 63080795
4-ethyl-2-(1-phenylcyclobutyl)pyrimidine-5-carboxylic acid
CID 63080630
5-(aminomethyl)-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 64574343

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine (CID 66298979) is 5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine is COCc1nc(C2(c3ccccc3)CCC2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
The InChIKey is ZPDLZXARSABZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-21-10-12-13(17)14(18)20-15(19-12)16(8-5-9-16)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,18,19,20).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine has a molecular weight of 348.24 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine is sourced from PubChem (CID 66298979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).