5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine

C9H14BrN3O — CID 66300683

IUPAC5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCOCc1nc(N)c(Br)c(C(C)C)n1
InChIInChI=1S/C9H14BrN3O/c1-5(2)8-7(10)9(11)13-6(12-8)4-14-3/h5H,4H2,1-3H3,(H2,11,12,13)
InChIKeyNKLRLABGRVINEV-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.09
Rot. Bonds3

About 5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300683) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300683
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCOCc1nc(N)c(Br)c(C(C)C)n1
InChIInChI=1S/C9H14BrN3O/c1-5(2)8-7(10)9(11)13-6(12-8)4-14-3/h5H,4H2,1-3H3,(H2,11,12,13)
InChIKeyNKLRLABGRVINEV-UHFFFAOYSA-N
XLogP2.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476292
2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine
CID 66300487
5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 66299309
5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 103987858
5-bromo-4-chloro-2-(3-methoxypropyl)-6-propan-2-ylpyrimidine
CID 66292799
5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
CID 66300489
5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 66298717
5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 116776857
5-bromo-6-(methoxymethyl)-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 66298593
5-bromo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66299701
5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116776851
5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine
CID 66312461

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine (CID 66300683) is 5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine is COCc1nc(N)c(Br)c(C(C)C)n1.
What is the InChIKey of 5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is NKLRLABGRVINEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-5(2)8-7(10)9(11)13-6(12-8)4-14-3/h5H,4H2,1-3H3,(H2,11,12,13).
What are the key properties of 5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 260.13 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).