5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

C14H17BrN4O — CID 114938397

IUPAC5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC)nc2)nc(C(C)C)c1Br
InChIInChI=1S/C14H17BrN4O/c1-8(2)12-11(15)14(16-3)19-13(18-12)9-5-6-10(20-4)17-7-9/h5-8H,1-4H3,(H,16,18,19)
InChIKeyCEJKSKQNKMMMGY-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.47
Rot. Bonds4

About 5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 114938397) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID114938397
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC)nc2)nc(C(C)C)c1Br
InChIInChI=1S/C14H17BrN4O/c1-8(2)12-11(15)14(16-3)19-13(18-12)9-5-6-10(20-4)17-7-9/h5-8H,1-4H3,(H,16,18,19)
InChIKeyCEJKSKQNKMMMGY-UHFFFAOYSA-N
XLogP3.47
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66301290
5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79972059
6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
CID 114938393
2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114938362
5-bromo-2-[3-(methoxymethyl)phenyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66296011
5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 106819726
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938404
5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79779927
5-bromo-N-methyl-2-(3-methylimidazol-4-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66296976
N-ethyl-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine
CID 114938334
5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 103348431
3-bromo-6-methoxy-2-propan-2-ylpyridine
CID 70868100

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 114938397) is 5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1nc(-c2ccc(OC)nc2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is CEJKSKQNKMMMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-8(2)12-11(15)14(16-3)19-13(18-12)9-5-6-10(20-4)17-7-9/h5-8H,1-4H3,(H,16,18,19).
What are the key properties of 5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 337.22 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114938397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).