6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine

C6H12IN4- — CID 163745809

IUPAC6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine
SMILESC[I-]N(C)C1=C(N)CN=CN1
InChIInChI=1S/C6H12IN4/c1-7-11(2)6-5(8)3-9-4-10-6/h4H,3,8H2,1-2H3,(H,9,10)/q-1
InChIKeyWIFXLKXJHCSNPE-UHFFFAOYSA-N
MW267.09 g/mol
LogP-3.69
Rot. Bonds2

About 6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine

6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine (PubChem CID 163745809) has the molecular formula C6H12IN4- and a molecular weight of 267.09 g/mol. Its IUPAC name is 6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine
PubChem CID163745809
Molecular FormulaC6H12IN4-
Molecular Weight267.09 g/mol
Exact Mass267.01
IUPAC Name6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine
SMILESC[I-]N(C)C1=C(N)CN=CN1
InChIInChI=1S/C6H12IN4/c1-7-11(2)6-5(8)3-9-4-10-6/h4H,3,8H2,1-2H3,(H,9,10)/q-1
InChIKeyWIFXLKXJHCSNPE-UHFFFAOYSA-N
XLogP-3.69
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 5-3.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-(methylideneamino)-1,4-dihydropyrimidin-5-amine
CID 123175950
N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine
CID 145132441
6-[Amino(methyl)amino]-1,4-dihydropyrimidin-5-amine
CID 153575086
6-Methyl-1,4-dihydropyrimidine-4,5-diamine
CID 154521869
(5-Amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium
CID 163453184
6-N-ethyl-4-methyl-1,4-dihydropyrimidine-5,6-diamine
CID 166763489
6-N-methyl-1,4-dihydropyrimidine-5,6-diamine
CID 170101546
N,N-dimethyl-4,7-dihydro-1H-purin-6-amine
CID 129932773
9-Methyl-3,6,7,8-tetrahydropurin-6-amine
CID 141790517
4-ethyl-6-N-methyl-1,4-dihydropyrimidine-5,6-diamine
CID 163453185

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine?
The IUPAC name of 6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine (CID 163745809) is 6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine is C[I-]N(C)C1=C(N)CN=CN1.
What is the InChIKey of 6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine?
The InChIKey is WIFXLKXJHCSNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN4/c1-7-11(2)6-5(8)3-9-4-10-6/h4H,3,8H2,1-2H3,(H,9,10)/q-1.
What are the key properties of 6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine?
6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine has a molecular weight of 267.09 g/mol, XLogP of -3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-methyliodanuidyl-1,4-dihydropyrimidine-5,6-diamine is sourced from PubChem (CID 163745809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).