5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine

C7H10BrN5 — CID 83867234

IUPAC5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine
SMILESNc1nc(N)c(Br)c(NC2CC2)n1
InChIInChI=1S/C7H10BrN5/c8-4-5(9)12-7(10)13-6(4)11-3-1-2-3/h3H,1-2H2,(H5,9,10,11,12,13)
InChIKeyJIVQOYJDTRUTBS-UHFFFAOYSA-N
MW244.10 g/mol
LogP0.98
Rot. Bonds2

About 5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine

5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine (PubChem CID 83867234) has the molecular formula C7H10BrN5 and a molecular weight of 244.10 g/mol. Its IUPAC name is 5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine
PubChem CID83867234
Molecular FormulaC7H10BrN5
Molecular Weight244.10 g/mol
Exact Mass243.01
IUPAC Name5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine
SMILESNc1nc(N)c(Br)c(NC2CC2)n1
InChIInChI=1S/C7H10BrN5/c8-4-5(9)12-7(10)13-6(4)11-3-1-2-3/h3H,1-2H2,(H5,9,10,11,12,13)
InChIKeyJIVQOYJDTRUTBS-UHFFFAOYSA-N
XLogP0.98
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.10
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-amino-5-bromo-6-methylpyrimidin-4-yl)amino]-1-methylcyclohexan-1-ol
CID 91153943
6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one
CID 83867166
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride
CID 23338975
5-bromo-4-N-(4-ethylcyclohexyl)pyrimidine-4,6-diamine
CID 114072068
5-N-cyclopropylpyrimidine-2,4,5-triamine
CID 175357424
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
5-bromo-4-N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,6-diamine
CID 53468668
5-N-cyclopropyl-9-methyl-8λ3-ioda-2,4,7,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraene-3,5-diamine
CID 163794703
5-bromo-4-N-(1,1-dioxothian-4-yl)pyrimidine-4,6-diamine
CID 114072004
5-bromo-4-N-(1,1-dioxothian-4-yl)pyrimidine-2,4-diamine
CID 80789953
4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 145256416
4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
CID 104623891

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine?
The IUPAC name of 5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine (CID 83867234) is 5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine?
The canonical SMILES for 5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine is Nc1nc(N)c(Br)c(NC2CC2)n1.
What is the InChIKey of 5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine?
The InChIKey is JIVQOYJDTRUTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN5/c8-4-5(9)12-7(10)13-6(4)11-3-1-2-3/h3H,1-2H2,(H5,9,10,11,12,13).
What are the key properties of 5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine?
5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine has a molecular weight of 244.10 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-cyclopropylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 83867234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).