N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine

C12H22N8 — CID 5468369

IUPACN-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCN(/N=C\C=N/N(C)C1=NCCCN1)C1=NCCCN1
InChIInChI=1S/C12H22N8/c1-19(11-13-5-3-6-14-11)17-9-10-18-20(2)12-15-7-4-8-16-12/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)/b17-9-,18-10-
InChIKeyVJENDAJDWPDEKL-XFQWXJFMSA-N
MW278.36 g/mol
LogP-0.48
Rot. Bonds3

About N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine

N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 5468369) has the molecular formula C12H22N8 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID5468369
Molecular FormulaC12H22N8
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCN(/N=C\C=N/N(C)C1=NCCCN1)C1=NCCCN1
InChIInChI=1S/C12H22N8/c1-19(11-13-5-3-6-14-11)17-9-10-18-20(2)12-15-7-4-8-16-12/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)/b17-9-,18-10-
InChIKeyVJENDAJDWPDEKL-XFQWXJFMSA-N
XLogP-0.48
TPSA79.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 5468369) is N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine is CN(/N=C\C=N/N(C)C1=NCCCN1)C1=NCCCN1.
What is the InChIKey of N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is VJENDAJDWPDEKL-XFQWXJFMSA-N. The full InChI is InChI=1S/C12H22N8/c1-19(11-13-5-3-6-14-11)17-9-10-18-20(2)12-15-7-4-8-16-12/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)/b17-9-,18-10-.
What are the key properties of N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 278.36 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-[(2Z)-2-[methyl(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazinylidene]ethylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 5468369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).