Guanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)-

C6H11N7 — CID 35798

IUPAC2-[(2-amino-6-methylpyrimidin-4-yl)amino]guanidine
SMILESCC1=CC(=NC(=N1)N)NN=C(N)N
InChIInChI=1S/C6H11N7/c1-3-2-4(11-6(9)10-3)12-13-5(7)8/h2H,1H3,(H4,7,8,13)(H3,9,10,11,12)
InChIKeyXFFUXCVIGORZOS-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.60
Rot. Bonds2

About Guanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)-

Guanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)- (PubChem CID 35798) has the molecular formula C6H11N7 and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-[(2-amino-6-methylpyrimidin-4-yl)amino]guanidine.

Molecular Properties

Compound NameGuanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)-
PubChem CID35798
Molecular FormulaC6H11N7
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name2-[(2-amino-6-methylpyrimidin-4-yl)amino]guanidine
SMILESCC1=CC(=NC(=N1)N)NN=C(N)N
InChIInChI=1S/C6H11N7/c1-3-2-4(11-6(9)10-3)12-13-5(7)8/h2H,1H3,(H4,7,8,13)(H3,9,10,11,12)
InChIKeyXFFUXCVIGORZOS-UHFFFAOYSA-N
XLogP-0.60
TPSA128.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity187

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethyl-4-aminopyrimidine
CID 68039
2-Chloro-6-methylpyrimidin-4-amine
CID 312629
2-Hydrazinyl-4,6-dimethylpyrimidine
CID 350535
6-Methylpyrimidin-4-amine
CID 572852
4-Hydrazinyl-2,6-dimethylpyrimidine
CID 736395
N-(cyclopentylideneamino)-4,6-dimethylpyrimidin-2-amine
CID 4124270
4-[3-(ethylthio)-1H-diaziren-1-yl]-6-methylpyrimidin-2-amine
CID 719036
N'-(2-amino-6-methylpyrimidin-4-yl)acetohydrazide
CID 828068
N'-(2-amino-6-methylpyrimidin-4-yl)-N,N'-dimethylacetohydrazide
CID 911008
6-Methyl-2,4-pyrimidinediamine
CID 229743
4-Hydrazinyl-6-methylpyrimidine
CID 12465346
N4,N4,6-trimethylpyrimidine-2,4-diamine
CID 13729300

Frequently Asked Questions

What is the IUPAC name of Guanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)-?
The IUPAC name of Guanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)- (CID 35798) is 2-[(2-amino-6-methylpyrimidin-4-yl)amino]guanidine.
What is the SMILES notation for Guanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)-?
The canonical SMILES for Guanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)- is CC1=CC(=NC(=N1)N)NN=C(N)N.
What is the InChIKey of Guanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)-?
The InChIKey is XFFUXCVIGORZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N7/c1-3-2-4(11-6(9)10-3)12-13-5(7)8/h2H,1H3,(H4,7,8,13)(H3,9,10,11,12).
What are the key properties of Guanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)-?
Guanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)- has a molecular weight of 181.20 g/mol, XLogP of -0.60, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Guanidine, ((2-amino-6-methyl-4-pyrimidinyl)amino)- is sourced from PubChem (CID 35798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).