N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine

C13H18N4O — CID 6364777

IUPACN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(/C(C)=N\NC2=NCCCN2)cc1
InChIInChI=1S/C13H18N4O/c1-10(11-4-6-12(18-2)7-5-11)16-17-13-14-8-3-9-15-13/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17)/b16-10-
InChIKeyROWXTMJGLPVQPL-YBEGLDIGSA-N
MW246.31 g/mol
LogP1.36
Rot. Bonds3

About N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 6364777) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID6364777
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(/C(C)=N\NC2=NCCCN2)cc1
InChIInChI=1S/C13H18N4O/c1-10(11-4-6-12(18-2)7-5-11)16-17-13-14-8-3-9-15-13/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17)/b16-10-
InChIKeyROWXTMJGLPVQPL-YBEGLDIGSA-N
XLogP1.36
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diethyl-6-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,3,5-triazine-2,4-diamine
CID 9624540
1-[1-[4-(Difluoromethoxy)phenyl]propylideneamino]-3-isopropyl-thiourea
CID 5978123
1-ethyl-3-[(E)-1-(3-methoxyphenyl)ethylideneamino]thiourea
CID 9682237
1-[1-(4-Methoxyphenyl)ethylideneamino]-3-phenethyl-thiourea
CID 6247270
1-(2-methoxyethyl)-3-[(E)-1-(4-methoxyphenyl)ethylideneamino]thiourea
CID 9627256
1-[(E)-1-(4-methoxyphenyl)ethylideneamino]-3-prop-2-enylthiourea
CID 9680855
3-{2-[1-(4-Methoxyphenyl)ethylidene]hydrazinyl}-6-methyl-1,2,4-triazin-5-ol
CID 135488697
N-(4,5-Dihydro-1H-imidazol-2-yl)-N'-[1-(4-pentyloxy-phenyl)-ethylidene]-hydrazine
CID 9566893
N-(4,5-Dihydro-1H-imidazol-2-yl)-N'-[1-(4-hexyloxy-phenyl)-ethylidene]-hydrazine
CID 9590747
1-[(E)-1-(4-methoxyphenyl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea
CID 9663379
4-N,6-N-diethyl-2-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 9681596
1-[(E)-1-(4-methoxyphenyl)ethylideneamino]-3-methylthiourea
CID 9583591

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 6364777) is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine is COc1ccc(/C(C)=N\NC2=NCCCN2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is ROWXTMJGLPVQPL-YBEGLDIGSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(11-4-6-12(18-2)7-5-11)16-17-13-14-8-3-9-15-13/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17)/b16-10-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 246.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 6364777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).