5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine

C13H11BrN6 — CID 122137979

IUPAC5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESBrc1cncnc1NCc1cccnc1-n1cccn1
InChIInChI=1S/C13H11BrN6/c14-11-8-15-9-18-12(11)17-7-10-3-1-4-16-13(10)20-6-2-5-19-20/h1-6,8-9H,7H2,(H,15,17,18)
InChIKeyVVITZIDLCUTSEQ-UHFFFAOYSA-N
MW331.18 g/mol
LogP2.43
Rot. Bonds4

About 5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine

5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 122137979) has the molecular formula C13H11BrN6 and a molecular weight of 331.18 g/mol. Its IUPAC name is 5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID122137979
Molecular FormulaC13H11BrN6
Molecular Weight331.18 g/mol
Exact Mass330.02
IUPAC Name5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESBrc1cncnc1NCc1cccnc1-n1cccn1
InChIInChI=1S/C13H11BrN6/c14-11-8-15-9-18-12(11)17-7-10-3-1-4-16-13(10)20-6-2-5-19-20/h1-6,8-9H,7H2,(H,15,17,18)
InChIKeyVVITZIDLCUTSEQ-UHFFFAOYSA-N
XLogP2.43
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 55680635
1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]methanamine;hydrochloride
CID 47030672
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexanamine
CID 167824693
3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 114835748
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 62085914
[4-[[(5-bromopyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232275
(E)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 51079398
N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 106885249
5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine
CID 66341926
3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 166196124
2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine (CID 122137979) is 5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine is Brc1cncnc1NCc1cccnc1-n1cccn1.
What is the InChIKey of 5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is VVITZIDLCUTSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN6/c14-11-8-15-9-18-12(11)17-7-10-3-1-4-16-13(10)20-6-2-5-19-20/h1-6,8-9H,7H2,(H,15,17,18).
What are the key properties of 5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine?
5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 331.18 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 122137979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).