2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine

C5H6Cl2N6 — CID 12789425

IUPAC2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nc(N)c(Cl)c(Cl)n1
InChIInChI=1S/C5H6Cl2N6/c6-1-2(7)11-5(12-3(1)8)13-4(9)10/h(H6,8,9,10,11,12,13)
InChIKeyOPZGRQDDTNAERZ-UHFFFAOYSA-N
MW221.05 g/mol
LogP0.27
Rot. Bonds1

About 2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine

2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine (PubChem CID 12789425) has the molecular formula C5H6Cl2N6 and a molecular weight of 221.05 g/mol. Its IUPAC name is 2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine
PubChem CID12789425
Molecular FormulaC5H6Cl2N6
Molecular Weight221.05 g/mol
Exact Mass220.00
IUPAC Name2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine
SMILESNC(N)=Nc1nc(N)c(Cl)c(Cl)n1
InChIInChI=1S/C5H6Cl2N6/c6-1-2(7)11-5(12-3(1)8)13-4(9)10/h(H6,8,9,10,11,12,13)
InChIKeyOPZGRQDDTNAERZ-UHFFFAOYSA-N
XLogP0.27
TPSA116.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,4,5,6-Tetrachloropyrimidine
CID 15690
5,6-Dichloro-pyrimidin-4-ylamine
CID 24219262
2,5-Diamino-4,6-dichloropyrimidine
CID 301039
4,5,6-Trichloro-2-methylpyrimidine
CID 231054
2-Amino-4,6-dichloro-5-methylpyrimidine
CID 246751
6-Chloropyrimidine-2,4,5-triamine
CID 500505
5-Bromo-4,6-dichloropyrimidin-2-amine
CID 618288
4,6-Dichloro-5-fluoropyrimidin-2-amine
CID 15221577
4-Amino-5-chloro-2,6-difluoropyrimidine
CID 22155671
4,5,6-Trichloropyrimidin-2-amine
CID 345630
4,5,6-Trichloropyrimidine-2-carbonitrile
CID 10703605
4,5,6-Trichloro-2-propan-2-ylpyrimidine
CID 249014

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine?
The IUPAC name of 2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine (CID 12789425) is 2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine?
The canonical SMILES for 2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine is NC(N)=Nc1nc(N)c(Cl)c(Cl)n1.
What is the InChIKey of 2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine?
The InChIKey is OPZGRQDDTNAERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N6/c6-1-2(7)11-5(12-3(1)8)13-4(9)10/h(H6,8,9,10,11,12,13).
What are the key properties of 2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine?
2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine has a molecular weight of 221.05 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5,6-dichloropyrimidin-2-yl)guanidine is sourced from PubChem (CID 12789425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).