N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide

C12H20N4O2 — CID 23588609

IUPACN'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCCCCn1c(=O)cc(/N=C/N(C)C)n(C)c1=O
InChIInChI=1S/C12H20N4O2/c1-5-6-7-16-11(17)8-10(13-9-14(2)3)15(4)12(16)18/h8-9H,5-7H2,1-4H3/b13-9+
InChIKeyCJCDBWPEAXBTCS-UKTHLTGXSA-N
MW252.32 g/mol
LogP0.57
Rot. Bonds5

About N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide

N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 23588609) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
PubChem CID23588609
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCCCCn1c(=O)cc(/N=C/N(C)C)n(C)c1=O
InChIInChI=1S/C12H20N4O2/c1-5-6-7-16-11(17)8-10(13-9-14(2)3)15(4)12(16)18/h8-9H,5-7H2,1-4H3/b13-9+
InChIKeyCJCDBWPEAXBTCS-UKTHLTGXSA-N
XLogP0.57
TPSA59.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

N'-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N,N-dimethylmethanimidamide
CID 389801
N'-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N,N-dimethylimidoformamide
CID 9571606
'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
N''-[3-(cyclopropylmethyl)-2,6-dioxo-4-pyrimidinyl]-N,N-dimethylmethanimidamide
CID 9547720
N''-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxo-4-pyrimidinyl]-N,N-dimethylmethanimidamide
CID 9547723
N'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 12004655
N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 12004657
1,3-Dimethyl-6-(piperidinomethyleneamino)pyrimidine-2,4-dione
CID 129789057
6-[(Dimethylamino)methyleneamino]-1,3-dimethylpyrimidine-2,4(1h,3h)-dione dihydrate
CID 129881098
N,N-dimethyl-N'-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methanimidamide
CID 135041491
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;dihydrate
CID 139075184

Frequently Asked Questions

What is the IUPAC name of N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide (CID 23588609) is N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide is CCCCn1c(=O)cc(/N=C/N(C)C)n(C)c1=O.
What is the InChIKey of N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is CJCDBWPEAXBTCS-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-6-7-16-11(17)8-10(13-9-14(2)3)15(4)12(16)18/h8-9H,5-7H2,1-4H3/b13-9+.
What are the key properties of N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 252.32 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-butyl-3-methyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 23588609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).