N'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide

C12H18N4O2 — CID 12004655

IUPACN'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1cc(=O)n(C)c(=O)n1CC1CC1
InChIInChI=1S/C12H18N4O2/c1-14(2)8-13-10-6-11(17)15(3)12(18)16(10)7-9-4-5-9/h6,8-9H,4-5,7H2,1-3H3
InChIKeyYEYXJVIFIFOOSA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.18
Rot. Bonds4

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

N'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 12004655) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
PubChem CID12004655
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1cc(=O)n(C)c(=O)n1CC1CC1
InChIInChI=1S/C12H18N4O2/c1-14(2)8-13-10-6-11(17)15(3)12(18)16(10)7-9-4-5-9/h6,8-9H,4-5,7H2,1-3H3
InChIKeyYEYXJVIFIFOOSA-UHFFFAOYSA-N
XLogP0.18
TPSA59.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.18
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide (CID 12004655) is N'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1cc(=O)n(C)c(=O)n1CC1CC1.
What is the InChIKey of N'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The InChIKey is YEYXJVIFIFOOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-14(2)8-13-10-6-11(17)15(3)12(18)16(10)7-9-4-5-9/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of N'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
N'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 250.30 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclopropylmethyl)-1-methyl-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 12004655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).