6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane

C17H18BrN5 — CID 175649628

IUPAC6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane
SMILESBrc1cccnc1N1C2CC1CN(c1cc(C3CC3)ncn1)C2
InChIInChI=1S/C17H18BrN5/c18-14-2-1-5-19-17(14)23-12-6-13(23)9-22(8-12)16-7-15(11-3-4-11)20-10-21-16/h1-2,5,7,10-13H,3-4,6,8-9H2
InChIKeyCFZJTQLFTCPZAG-UHFFFAOYSA-N
MW372.27 g/mol
LogP2.98
Rot. Bonds3

About 6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane

6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 175649628) has the molecular formula C17H18BrN5 and a molecular weight of 372.27 g/mol. Its IUPAC name is 6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane
PubChem CID175649628
Molecular FormulaC17H18BrN5
Molecular Weight372.27 g/mol
Exact Mass371.07
IUPAC Name6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane
SMILESBrc1cccnc1N1C2CC1CN(c1cc(C3CC3)ncn1)C2
InChIInChI=1S/C17H18BrN5/c18-14-2-1-5-19-17(14)23-12-6-13(23)9-22(8-12)16-7-15(11-3-4-11)20-10-21-16/h1-2,5,7,10-13H,3-4,6,8-9H2
InChIKeyCFZJTQLFTCPZAG-UHFFFAOYSA-N
XLogP2.98
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane with MolForge

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Related Compounds

6-(benzenesulfonyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 172906148
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
[3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[4-(dimethylamino)phenyl]methanone
CID 172893698
3-(6-cyclopropylpyrimidin-4-yl)-6-(3,4-dimethoxyphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
CID 172906372
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 126848081
3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902365
6-cyclopropyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine
CID 154575536
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434882
4-cyclopropyl-6-[(3S)-3-phenylpiperazin-1-yl]pyrimidine
CID 97145608
4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 172880704
5-(6-cyclopropylpyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126858092
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane (CID 175649628) is 6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane is Brc1cccnc1N1C2CC1CN(c1cc(C3CC3)ncn1)C2.
What is the InChIKey of 6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is CFZJTQLFTCPZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5/c18-14-2-1-5-19-17(14)23-12-6-13(23)9-22(8-12)16-7-15(11-3-4-11)20-10-21-16/h1-2,5,7,10-13H,3-4,6,8-9H2.
What are the key properties of 6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane?
6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 372.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2-pyridinyl)-3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 175649628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).