1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine

C8H10N6O2 — CID 67122725

IUPAC1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCc1[nH]c(=O)[nH]c(=O)c1C#N
InChIInChI=1S/C8H10N6O2/c1-11-7(10)12-3-5-4(2-9)6(15)14-8(16)13-5/h3H2,1H3,(H3,10,11,12)(H2,13,14,15,16)
InChIKeyQCQRSTKHQDIENO-UHFFFAOYSA-N
MW222.21 g/mol
LogP-2.03
Rot. Bonds2

About 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine

1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine (PubChem CID 67122725) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine
PubChem CID67122725
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCc1[nH]c(=O)[nH]c(=O)c1C#N
InChIInChI=1S/C8H10N6O2/c1-11-7(10)12-3-5-4(2-9)6(15)14-8(16)13-5/h3H2,1H3,(H3,10,11,12)(H2,13,14,15,16)
InChIKeyQCQRSTKHQDIENO-UHFFFAOYSA-N
XLogP-2.03
TPSA139.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine (CID 67122725) is 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine is C/N=C(\N)NCc1[nH]c(=O)[nH]c(=O)c1C#N.
What is the InChIKey of 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine?
The InChIKey is QCQRSTKHQDIENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-11-7(10)12-3-5-4(2-9)6(15)14-8(16)13-5/h3H2,1H3,(H3,10,11,12)(H2,13,14,15,16).
What are the key properties of 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine?
1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine has a molecular weight of 222.21 g/mol, XLogP of -2.03, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 67122725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).