4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate

C12H21BrN6O — CID 139066628

IUPAC4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate
SMILESCc1cc(C)[nH+]c(N)n1.Cc1cc(C)nc(N)n1.O.[Br-]
InChIInChI=1S/2C6H9N3.BrH.H2O/c2*1-4-3-5(2)9-6(7)8-4;;/h2*3H,1-2H3,(H2,7,8,9);1H;1H2
InChIKeyQSJJDPUHISYOSF-UHFFFAOYSA-N
MW345.25 g/mol
LogP-3.05
Rot. Bonds

About 4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate

4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate (PubChem CID 139066628) has the molecular formula C12H21BrN6O and a molecular weight of 345.25 g/mol. Its IUPAC name is 4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate.

Molecular Properties

Compound Name4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate
PubChem CID139066628
Molecular FormulaC12H21BrN6O
Molecular Weight345.25 g/mol
Exact Mass344.10
IUPAC Name4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate
SMILESCc1cc(C)[nH+]c(N)n1.Cc1cc(C)nc(N)n1.O.[Br-]
InChIInChI=1S/2C6H9N3.BrH.H2O/c2*1-4-3-5(2)9-6(7)8-4;;/h2*3H,1-2H3,(H2,7,8,9);1H;1H2
InChIKeyQSJJDPUHISYOSF-UHFFFAOYSA-N
XLogP-3.05
TPSA136.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 5-3.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 140629054
bis(2-chloroacetate);bis(4,6-dimethylpyrimidin-1-ium-2-amine)
CID 139077621
CID 153366173
CID 153366173
4,6-dimethylpyrimidin-2-amine;phthalic acid
CID 68723987
4-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine
CID 59551929
4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine
CID 112724397
4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid
CID 139144557
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine
CID 80894692
formic acid;6-methylpyrimidine-2,4-diamine
CID 175141048
4-methyl-6-prop-1-ynylpyrimidin-2-amine
CID 45078977

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate?
The IUPAC name of 4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate (CID 139066628) is 4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate.
What is the SMILES notation for 4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate?
The canonical SMILES for 4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate is Cc1cc(C)[nH+]c(N)n1.Cc1cc(C)nc(N)n1.O.[Br-].
What is the InChIKey of 4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate?
The InChIKey is QSJJDPUHISYOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N3.BrH.H2O/c2*1-4-3-5(2)9-6(7)8-4;;/h2*3H,1-2H3,(H2,7,8,9);1H;1H2.
What are the key properties of 4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate?
4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate has a molecular weight of 345.25 g/mol, XLogP of -3.05, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrimidin-2-amine;4,6-dimethylpyrimidin-1-ium-2-amine;bromide;hydrate is sourced from PubChem (CID 139066628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).