N',2-diamino-4-methylpyrimidine-5-carboximidamide

C6H10N6 — CID 171396587

IUPACN',2-diamino-4-methylpyrimidine-5-carboximidamide
SMILESCc1nc(N)ncc1/C(N)=N/N
InChIInChI=1S/C6H10N6/c1-3-4(5(7)12-9)2-10-6(8)11-3/h2H,9H2,1H3,(H2,7,12)(H2,8,10,11)
InChIKeyDSLZYILICBVFCC-UHFFFAOYSA-N
MW166.19 g/mol
LogP-1.05
Rot. Bonds1

About N',2-diamino-4-methylpyrimidine-5-carboximidamide

N',2-diamino-4-methylpyrimidine-5-carboximidamide (PubChem CID 171396587) has the molecular formula C6H10N6 and a molecular weight of 166.19 g/mol. Its IUPAC name is N',2-diamino-4-methylpyrimidine-5-carboximidamide.

Molecular Properties

Compound NameN',2-diamino-4-methylpyrimidine-5-carboximidamide
PubChem CID171396587
Molecular FormulaC6H10N6
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC NameN',2-diamino-4-methylpyrimidine-5-carboximidamide
SMILESCc1nc(N)ncc1/C(N)=N/N
InChIInChI=1S/C6H10N6/c1-3-4(5(7)12-9)2-10-6(8)11-3/h2H,9H2,1H3,(H2,7,12)(H2,8,10,11)
InChIKeyDSLZYILICBVFCC-UHFFFAOYSA-N
XLogP-1.05
TPSA116.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

N',6-diamino-2-methylpyridine-3-carboximidamide
CID 168918327
1-[2-amino-4-(methylamino)pyrimidin-5-yl]ethanone
CID 159487487
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
2-amino-4-ethoxypyrimidine-5-carboxamide
CID 143881535
5-(1-aminoethenyl)-4-tert-butylpyrimidin-2-amine
CID 170380398
1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol
CID 170817665
(2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 95851494
2-amino-4-fluoropyrimidine-5-carboxylic acid
CID 90011731
N'-amino-5,6-dimethylpyridine-2-carboximidamide
CID 69378028
methyl 2-amino-4-bromopyrimidine-5-carboxylate
CID 131422856
1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one
CID 174832619
1-(2-amino-4-methylpyrimidin-5-yl)-3-methyl-2-(pentylamino)butan-1-one;hydrate
CID 174832618

Frequently Asked Questions

What is the IUPAC name of N',2-diamino-4-methylpyrimidine-5-carboximidamide?
The IUPAC name of N',2-diamino-4-methylpyrimidine-5-carboximidamide (CID 171396587) is N',2-diamino-4-methylpyrimidine-5-carboximidamide.
What is the SMILES notation for N',2-diamino-4-methylpyrimidine-5-carboximidamide?
The canonical SMILES for N',2-diamino-4-methylpyrimidine-5-carboximidamide is Cc1nc(N)ncc1/C(N)=N/N.
What is the InChIKey of N',2-diamino-4-methylpyrimidine-5-carboximidamide?
The InChIKey is DSLZYILICBVFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6/c1-3-4(5(7)12-9)2-10-6(8)11-3/h2H,9H2,1H3,(H2,7,12)(H2,8,10,11).
What are the key properties of N',2-diamino-4-methylpyrimidine-5-carboximidamide?
N',2-diamino-4-methylpyrimidine-5-carboximidamide has a molecular weight of 166.19 g/mol, XLogP of -1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-diamino-4-methylpyrimidine-5-carboximidamide is sourced from PubChem (CID 171396587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).