2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine

C6H6BN3 — CID 142470448

IUPAC2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine
SMILESCc1bc2cncnc2[nH]1
InChIInChI=1S/C6H6BN3/c1-4-7-5-2-8-3-9-6(5)10-4/h2-3H,1H3,(H,8,9,10)
InChIKeyZNKYJPSDGAOUMJ-UHFFFAOYSA-N
MW130.95 g/mol
LogP0.60
Rot. Bonds

About 2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine

2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine (PubChem CID 142470448) has the molecular formula C6H6BN3 and a molecular weight of 130.95 g/mol. Its IUPAC name is 2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine
PubChem CID142470448
Molecular FormulaC6H6BN3
Molecular Weight130.95 g/mol
Exact Mass131.07
IUPAC Name2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine
SMILESCc1bc2cncnc2[nH]1
InChIInChI=1S/C6H6BN3/c1-4-7-5-2-8-3-9-6(5)10-4/h2-3H,1H3,(H,8,9,10)
InChIKeyZNKYJPSDGAOUMJ-UHFFFAOYSA-N
XLogP0.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.95
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 126970379
N,N-dimethyl-1-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine
CID 53364059
methanol;1H-pyrazolo[3,4-d]pyrimidine
CID 158521229
1H-pyrimido[4,5-d][1,3]thiazine-2,4-dione
CID 175871069
ethane;6-methylthieno[3,2-d]pyrimidine
CID 144655861
6-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 157124707
4,5-dimethylpyrimidine;hydrochloride
CID 126810746
(4-aminopyrimidin-5-yl)boronic acid
CID 66664909
N,N-dimethyl-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methanamine
CID 119084586
2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
CID 143285060
CID 87584548
CID 87584548
5-[(1R)-1-chloroethyl]-4-methylpyrimidine
CID 94587761

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine?
The IUPAC name of 2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine (CID 142470448) is 2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine?
The canonical SMILES for 2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine is Cc1bc2cncnc2[nH]1.
What is the InChIKey of 2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine?
The InChIKey is ZNKYJPSDGAOUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BN3/c1-4-7-5-2-8-3-9-6(5)10-4/h2-3H,1H3,(H,8,9,10).
What are the key properties of 2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine?
2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine has a molecular weight of 130.95 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-[1,3]azaborolo[5,4-d]pyrimidine is sourced from PubChem (CID 142470448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).