6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine

C16H21BrN6 — CID 19147282

IUPAC6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Br)cn2)ncnc1NC1CCCCCC1
InChIInChI=1S/C16H21BrN6/c17-11-7-8-13(19-9-11)23-16-14(18)15(20-10-21-16)22-12-5-3-1-2-4-6-12/h7-10,12H,1-6,18H2,(H2,19,20,21,22,23)
InChIKeyBKZUULDDVBMSES-UHFFFAOYSA-N
MW377.29 g/mol
LogP4.09
Rot. Bonds4

About 6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine

6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine (PubChem CID 19147282) has the molecular formula C16H21BrN6 and a molecular weight of 377.29 g/mol. Its IUPAC name is 6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
PubChem CID19147282
Molecular FormulaC16H21BrN6
Molecular Weight377.29 g/mol
Exact Mass376.10
IUPAC Name6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Br)cn2)ncnc1NC1CCCCCC1
InChIInChI=1S/C16H21BrN6/c17-11-7-8-13(19-9-11)23-16-14(18)15(20-10-21-16)22-12-5-3-1-2-4-6-12/h7-10,12H,1-6,18H2,(H2,19,20,21,22,23)
InChIKeyBKZUULDDVBMSES-UHFFFAOYSA-N
XLogP4.09
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-N-(5-bromo-2-pyridinyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135818
4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137129
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135431
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147747
N-(5-bromo-2-pyridinyl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22531392
6-N-(5-bromo-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144598
6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136762
4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5,6-triamine
CID 19146453
4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143153
4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149168
4-N-cyclohexyl-6-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19135798

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine (CID 19147282) is 6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(Br)cn2)ncnc1NC1CCCCCC1.
What is the InChIKey of 6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine?
The InChIKey is BKZUULDDVBMSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN6/c17-11-7-8-13(19-9-11)23-16-14(18)15(20-10-21-16)22-12-5-3-1-2-4-6-12/h7-10,12H,1-6,18H2,(H2,19,20,21,22,23).
What are the key properties of 6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine?
6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine has a molecular weight of 377.29 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19147282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).