1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea

C7H12N8O2 — CID 174329853

IUPAC1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea
SMILESCc1cc(N(N)C(N)=O)nc(N(N)C(N)=O)n1
InChIInChI=1S/C7H12N8O2/c1-3-2-4(14(10)5(8)16)13-7(12-3)15(11)6(9)17/h2H,10-11H2,1H3,(H2,8,16)(H2,9,17)
InChIKeyBOZKIWYVLZFZEM-UHFFFAOYSA-N
MW240.23 g/mol
LogP-1.70
Rot. Bonds2

About 1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea

1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea (PubChem CID 174329853) has the molecular formula C7H12N8O2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea
PubChem CID174329853
Molecular FormulaC7H12N8O2
Molecular Weight240.23 g/mol
Exact Mass240.11
IUPAC Name1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea
SMILESCc1cc(N(N)C(N)=O)nc(N(N)C(N)=O)n1
InChIInChI=1S/C7H12N8O2/c1-3-2-4(14(10)5(8)16)13-7(12-3)15(11)6(9)17/h2H,10-11H2,1H3,(H2,8,16)(H2,9,17)
InChIKeyBOZKIWYVLZFZEM-UHFFFAOYSA-N
XLogP-1.70
TPSA170.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea
CID 174812539
1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea
CID 174378208
1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea
CID 57254675
1-(2-chloro-6-methylphenyl)-1-(4-chloro-6-methylpyrimidin-2-yl)urea
CID 19813685
1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide
CID 23349888
1-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-1-methylhydrazine
CID 1475686
3,4-bis[amino(carbamoyl)amino]-5-methylbenzoic acid
CID 174870295
2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide
CID 107547034
1-amino-1-[2-[amino(carbamoyl)amino]-5-chloro-6-(propylamino)pyrimidin-4-yl]urea
CID 174833265
ethyl 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]acetate
CID 107546994
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid
CID 61012125
2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-ethylamino]-N-ethylacetamide
CID 107547005

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea?
The IUPAC name of 1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea (CID 174329853) is 1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea.
What is the SMILES notation for 1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea?
The canonical SMILES for 1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea is Cc1cc(N(N)C(N)=O)nc(N(N)C(N)=O)n1.
What is the InChIKey of 1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea?
The InChIKey is BOZKIWYVLZFZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N8O2/c1-3-2-4(14(10)5(8)16)13-7(12-3)15(11)6(9)17/h2H,10-11H2,1H3,(H2,8,16)(H2,9,17).
What are the key properties of 1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea?
1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea has a molecular weight of 240.23 g/mol, XLogP of -1.70, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[2-[amino(carbamoyl)amino]-6-methylpyrimidin-4-yl]urea is sourced from PubChem (CID 174329853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).