1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione

C23H31N5O3 — CID 70910084

IUPAC1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione
SMILESC=NN(CCc1cccc(OCC2CC2)c1)/C(=C\N)CCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C23H31N5O3/c1-25-28(14-10-18-5-4-7-21(15-18)31-17-19-8-9-19)20(16-24)6-2-3-12-27-13-11-22(29)26-23(27)30/h4-5,7,11,13,15-16,19H,1-3,6,8-10,12,14,17,24H2,(H,26,29,30)/b20-16-
InChIKeySUXRCOQYHBSAFY-SILNSSARSA-N
MW425.53 g/mol
LogP2.46
Rot. Bonds13

About 1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione

1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione (PubChem CID 70910084) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione
PubChem CID70910084
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione
SMILESC=NN(CCc1cccc(OCC2CC2)c1)/C(=C\N)CCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C23H31N5O3/c1-25-28(14-10-18-5-4-7-21(15-18)31-17-19-8-9-19)20(16-24)6-2-3-12-27-13-11-22(29)26-23(27)30/h4-5,7,11,13,15-16,19H,1-3,6,8-10,12,14,17,24H2,(H,26,29,30)/b20-16-
InChIKeySUXRCOQYHBSAFY-SILNSSARSA-N
XLogP2.46
TPSA105.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione (CID 70910084) is 1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione is C=NN(CCc1cccc(OCC2CC2)c1)/C(=C\N)CCCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione?
The InChIKey is SUXRCOQYHBSAFY-SILNSSARSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-25-28(14-10-18-5-4-7-21(15-18)31-17-19-8-9-19)20(16-24)6-2-3-12-27-13-11-22(29)26-23(27)30/h4-5,7,11,13,15-16,19H,1-3,6,8-10,12,14,17,24H2,(H,26,29,30)/b20-16-.
What are the key properties of 1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione?
1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione has a molecular weight of 425.53 g/mol, XLogP of 2.46, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-6-amino-5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl-(methylideneamino)amino]hex-5-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 70910084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).