6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione

C19H25N5O3 — CID 42631817

IUPAC6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione
SMILESCn1c(N)c(/N=C/c2cccc(OCCN3CCCC3)c2)c(=O)n(C)c1=O
InChIInChI=1S/C19H25N5O3/c1-22-17(20)16(18(25)23(2)19(22)26)21-13-14-6-5-7-15(12-14)27-11-10-24-8-3-4-9-24/h5-7,12-13H,3-4,8-11,20H2,1-2H3/b21-13+
InChIKeyIGZGNIDVQLXCFH-FYJGNVAPSA-N
MW371.44 g/mol
LogP0.89
Rot. Bonds6

About 6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione (PubChem CID 42631817) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione
PubChem CID42631817
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione
SMILESCn1c(N)c(/N=C/c2cccc(OCCN3CCCC3)c2)c(=O)n(C)c1=O
InChIInChI=1S/C19H25N5O3/c1-22-17(20)16(18(25)23(2)19(22)26)21-13-14-6-5-7-15(12-14)27-11-10-24-8-3-4-9-24/h5-7,12-13H,3-4,8-11,20H2,1-2H3/b21-13+
InChIKeyIGZGNIDVQLXCFH-FYJGNVAPSA-N
XLogP0.89
TPSA94.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[3-(2-piperidin-1-ylethoxy)phenyl]methylidenehydrazine
CID 168530376
1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine
CID 176891275
(1E,4E)-1-(3-ethylphenyl)-5-[3-(2-piperidin-1-ylethoxy)phenyl]penta-1,4-dien-3-one;sulfur trioxide
CID 159336033
(Z)-2-phenyl-3-[3-(2-piperidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 20986724
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
1-[2-(3-bromophenoxy)ethyl]piperidine;oxalic acid
CID 2924023
oxalic acid;3-(4-piperidin-1-ylbutoxy)benzaldehyde
CID 2949977
4-methyl-N-[[3-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168618430
trifluoro-[3-(2-pyrrolidin-1-ylethoxy)phenyl]boranuide
CID 63678115
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione (CID 42631817) is 6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione is Cn1c(N)c(/N=C/c2cccc(OCCN3CCCC3)c2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione?
The InChIKey is IGZGNIDVQLXCFH-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-22-17(20)16(18(25)23(2)19(22)26)21-13-14-6-5-7-15(12-14)27-11-10-24-8-3-4-9-24/h5-7,12-13H,3-4,8-11,20H2,1-2H3/b21-13+.
What are the key properties of 6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione has a molecular weight of 371.44 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrimidine-2,4-dione is sourced from PubChem (CID 42631817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).