6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine

C8H8BrN5 — CID 106195358

IUPAC6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine
SMILESBrc1cc(NCc2cnc[nH]2)ncn1
InChIInChI=1S/C8H8BrN5/c9-7-1-8(14-5-13-7)11-3-6-2-10-4-12-6/h1-2,4-5H,3H2,(H,10,12)(H,11,13,14)
InChIKeyCYNHDQOSKHHVHU-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.57
Rot. Bonds3

About 6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine

6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 106195358) has the molecular formula C8H8BrN5 and a molecular weight of 254.09 g/mol. Its IUPAC name is 6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID106195358
Molecular FormulaC8H8BrN5
Molecular Weight254.09 g/mol
Exact Mass253.00
IUPAC Name6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine
SMILESBrc1cc(NCc2cnc[nH]2)ncn1
InChIInChI=1S/C8H8BrN5/c9-7-1-8(14-5-13-7)11-3-6-2-10-4-12-6/h1-2,4-5H,3H2,(H,10,12)(H,11,13,14)
InChIKeyCYNHDQOSKHHVHU-UHFFFAOYSA-N
XLogP1.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195023
N-(1H-imidazol-5-ylmethyl)pyridin-2-amine
CID 65439896
5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine
CID 167927118
4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine
CID 116736060
2-bromo-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761211
2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
CID 103755502
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline
CID 62761956
6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897335
6-bromo-N-but-2-ynylpyrimidin-4-amine
CID 106195780
6-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidin-4-amine
CID 106194029
N-(1H-imidazol-5-ylmethyl)-4-methylsulfanylaniline
CID 62763159

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine (CID 106195358) is 6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine is Brc1cc(NCc2cnc[nH]2)ncn1.
What is the InChIKey of 6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is CYNHDQOSKHHVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5/c9-7-1-8(14-5-13-7)11-3-6-2-10-4-12-6/h1-2,4-5H,3H2,(H,10,12)(H,11,13,14).
What are the key properties of 6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine?
6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 254.09 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106195358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).