N'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide

C7H10N4O2 — CID 91359251

IUPACN'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H10N4O2/c1-11(2)4-8-5-3-6(12)10-7(13)9-5/h3-4H,1-2H3,(H2,9,10,12,13)
InChIKeyDZDLTCUAVNBKLL-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.72
Rot. Bonds2

About N'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide

N'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide (PubChem CID 91359251) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is N'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide
PubChem CID91359251
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC NameN'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H10N4O2/c1-11(2)4-8-5-3-6(12)10-7(13)9-5/h3-4H,1-2H3,(H2,9,10,12,13)
InChIKeyDZDLTCUAVNBKLL-UHFFFAOYSA-N
XLogP-0.72
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-Amino-6-(dimethylamino)pyrimidin-4-ol
CID 135442218
6-Amino-2-(methylamino)pyrimidin-4-ol
CID 135455590
N'-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N,N-dimethylmethanimidamide
CID 389801
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
N'-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N,N-dimethylimidoformamide
CID 9571606
6-(dimethylamino)pyrimidine-2,4(1H,3H)-dione
CID 309964
4-Amino-2-dimethylamino-6-hydroxypyrimidine
CID 135431314
2-(Dimethylamino)-4,6-pyrimidinediol
CID 320025
'N,N-dimethyl-N''-(3-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imidoformamide'
CID 9547714
N,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide
CID 12004656
1-Carbamimidoyl-3-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)guanidine
CID 176468647
2-(Dimethylamino)-6-fluoropyrimidin-4(1H)-one
CID 135443836

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide (CID 91359251) is N'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide is CN(C)C=Nc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide?
The InChIKey is DZDLTCUAVNBKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-11(2)4-8-5-3-6(12)10-7(13)9-5/h3-4H,1-2H3,(H2,9,10,12,13).
What are the key properties of N'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide?
N'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide has a molecular weight of 182.18 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dioxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 91359251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).