1,8-naphthyridin-2-amine;pyrimidine;hydrobromide

C12H12BrN5 — CID 175472376

IUPAC1,8-naphthyridin-2-amine;pyrimidine;hydrobromide
SMILESBr.Nc1ccc2cccnc2n1.c1cncnc1
InChIInChI=1S/C8H7N3.C4H4N2.BrH/c9-7-4-3-6-2-1-5-10-8(6)11-7;1-2-5-4-6-3-1;/h1-5H,(H2,9,10,11);1-4H;1H
InChIKeyOYEZDNNXSXBIPN-UHFFFAOYSA-N
MW306.17 g/mol
LogP2.27
Rot. Bonds

About 1,8-naphthyridin-2-amine;pyrimidine;hydrobromide

1,8-naphthyridin-2-amine;pyrimidine;hydrobromide (PubChem CID 175472376) has the molecular formula C12H12BrN5 and a molecular weight of 306.17 g/mol. Its IUPAC name is 1,8-naphthyridin-2-amine;pyrimidine;hydrobromide.

Molecular Properties

Compound Name1,8-naphthyridin-2-amine;pyrimidine;hydrobromide
PubChem CID175472376
Molecular FormulaC12H12BrN5
Molecular Weight306.17 g/mol
Exact Mass305.03
IUPAC Name1,8-naphthyridin-2-amine;pyrimidine;hydrobromide
SMILESBr.Nc1ccc2cccnc2n1.c1cncnc1
InChIInChI=1S/C8H7N3.C4H4N2.BrH/c9-7-4-3-6-2-1-5-10-8(6)11-7;1-2-5-4-6-3-1;/h1-5H,(H2,9,10,11);1-4H;1H
InChIKeyOYEZDNNXSXBIPN-UHFFFAOYSA-N
XLogP2.27
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

coronene;1,8-naphthyridine
CID 87840875
CID 177046981
CID 177046981
CID 177047265
CID 177047265
N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine
CID 45117995
2-pyrimidin-5-ylpyrido[2,3-d]pyrimidine
CID 123157020
2-(methoxymethyl)-1,8-naphthyridine
CID 154147005
1,8-naphthyridine;propane
CID 142433930
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
2-ethoxy-1,8-naphthyridine
CID 4053994
1,8-naphthyridine-2-carbonyl chloride
CID 129321879
3-methyl-1,8-naphthyridin-2-amine
CID 89289464
N'-methyl-1,8-naphthyridine-2-carboximidamide
CID 172623123

Frequently Asked Questions

What is the IUPAC name of 1,8-naphthyridin-2-amine;pyrimidine;hydrobromide?
The IUPAC name of 1,8-naphthyridin-2-amine;pyrimidine;hydrobromide (CID 175472376) is 1,8-naphthyridin-2-amine;pyrimidine;hydrobromide.
What is the SMILES notation for 1,8-naphthyridin-2-amine;pyrimidine;hydrobromide?
The canonical SMILES for 1,8-naphthyridin-2-amine;pyrimidine;hydrobromide is Br.Nc1ccc2cccnc2n1.c1cncnc1.
What is the InChIKey of 1,8-naphthyridin-2-amine;pyrimidine;hydrobromide?
The InChIKey is OYEZDNNXSXBIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.C4H4N2.BrH/c9-7-4-3-6-2-1-5-10-8(6)11-7;1-2-5-4-6-3-1;/h1-5H,(H2,9,10,11);1-4H;1H.
What are the key properties of 1,8-naphthyridin-2-amine;pyrimidine;hydrobromide?
1,8-naphthyridin-2-amine;pyrimidine;hydrobromide has a molecular weight of 306.17 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-naphthyridin-2-amine;pyrimidine;hydrobromide is sourced from PubChem (CID 175472376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).