1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol

C10H16BrN3O2 — CID 103872979

IUPAC1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCOc1nc(N(C)CC(C)(C)O)ncc1Br
InChIInChI=1S/C10H16BrN3O2/c1-10(2,15)6-14(3)9-12-5-7(11)8(13-9)16-4/h5,15H,6H2,1-4H3
InChIKeyUDSRJPUENJGRKP-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.45
Rot. Bonds4

About 1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol

1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 103872979) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID103872979
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCOc1nc(N(C)CC(C)(C)O)ncc1Br
InChIInChI=1S/C10H16BrN3O2/c1-10(2,15)6-14(3)9-12-5-7(11)8(13-9)16-4/h5,15H,6H2,1-4H3
InChIKeyUDSRJPUENJGRKP-UHFFFAOYSA-N
XLogP1.45
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 106999636
5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999813
5-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999859
N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106997357
N-[(4-aminophenyl)methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106998375
5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 103745889
5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 103726633
5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 103745897
2-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 106998065
5-bromo-4-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 106998130
5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106998870
2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol
CID 103817617

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol (CID 103872979) is 1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol is COc1nc(N(C)CC(C)(C)O)ncc1Br.
What is the InChIKey of 1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is UDSRJPUENJGRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-10(2,15)6-14(3)9-12-5-7(11)8(13-9)16-4/h5,15H,6H2,1-4H3.
What are the key properties of 1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol?
1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 290.16 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 103872979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).