N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine

C6H8N4 — CID 145132441

IUPACN-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine
SMILESC=NC1=C(N=C)NC=NC1
InChIInChI=1S/C6H8N4/c1-7-5-3-9-4-10-6(5)8-2/h4H,1-3H2,(H,9,10)
InChIKeyAPRBFHMSEDDVPG-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.19
Rot. Bonds2

About N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine

N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine (PubChem CID 145132441) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine.

Molecular Properties

Compound NameN-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine
PubChem CID145132441
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC NameN-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine
SMILESC=NC1=C(N=C)NC=NC1
InChIInChI=1S/C6H8N4/c1-7-5-3-9-4-10-6(5)8-2/h4H,1-3H2,(H,9,10)
InChIKeyAPRBFHMSEDDVPG-UHFFFAOYSA-N
XLogP0.19
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dihydropyrimidine-2,5,6-triamine
CID 22129274
4,7-dihydro-1H-purin-6-amine
CID 55284895
6,7,8,9-tetrahydro-3H-purine
CID 57306527
6,7,8,9-tetrahydro-3H-purin-6-amine
CID 89493556
N-methyl-6-(methylideneamino)-1,4-dihydropyrimidin-5-amine
CID 123175950
[5-(Dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium
CID 123788079
4,7-dihydro-1H-purine-2,6-diamine
CID 131970278
6-Methyl-1,4-dihydropyrimidin-5-amine
CID 142030297
4-N,4-dimethyl-1H-pyrimidine-4,5,6-triamine
CID 149647618
6-Methyl-1,4-dihydropyrimidine-4,5-diamine
CID 154521869
6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine
CID 163745809
[4-Amino-3-[(methylideneamino)methylideneamino]but-2-en-2-yl]-methylazanium
CID 163800896

Frequently Asked Questions

What is the IUPAC name of N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine?
The IUPAC name of N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine (CID 145132441) is N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine.
What is the SMILES notation for N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine?
The canonical SMILES for N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine is C=NC1=C(N=C)NC=NC1.
What is the InChIKey of N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine?
The InChIKey is APRBFHMSEDDVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-7-5-3-9-4-10-6(5)8-2/h4H,1-3H2,(H,9,10).
What are the key properties of N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine?
N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine has a molecular weight of 136.16 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine is sourced from PubChem (CID 145132441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).