N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine

C9H14BrN3O — CID 104555295

IUPACN-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1ccnc(N(C)C(C)CBr)n1
InChIInChI=1S/C9H14BrN3O/c1-7(6-10)13(2)9-11-5-4-8(12-9)14-3/h4-5,7H,6H2,1-3H3
InChIKeyQHFUWCFJCJRECP-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.70
Rot. Bonds4

About N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine

N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine (PubChem CID 104555295) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine
PubChem CID104555295
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC NameN-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1ccnc(N(C)C(C)CBr)n1
InChIInChI=1S/C9H14BrN3O/c1-7(6-10)13(2)9-11-5-4-8(12-9)14-3/h4-5,7H,6H2,1-3H3
InChIKeyQHFUWCFJCJRECP-UHFFFAOYSA-N
XLogP1.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-ethoxypyrimidin-2-yl)-2-N-methylpropane-1,2-diamine
CID 104556767
N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 62586031
4-methoxy-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-2-amine
CID 97337988
N-(2-bromoethyl)-N-butyl-4-methoxypyrimidin-2-amine
CID 80668756
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
(2S)-3-[(4-methoxypyrimidin-2-yl)-methylamino]propane-1,2-diol
CID 75398484
N,N-bis(2-chloroethyl)-4-methoxypyrimidin-2-amine
CID 54226938
N-butyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 78818754
4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 165433420
N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine
CID 116649589
2-ethoxy-4-methoxypyrimidine
CID 119088608
N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 112813486

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine?
The IUPAC name of N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine (CID 104555295) is N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine is COc1ccnc(N(C)C(C)CBr)n1.
What is the InChIKey of N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine?
The InChIKey is QHFUWCFJCJRECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-7(6-10)13(2)9-11-5-4-8(12-9)14-3/h4-5,7H,6H2,1-3H3.
What are the key properties of N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine?
N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine has a molecular weight of 260.13 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 104555295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).