4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine

C7H16N6 — CID 137197668

IUPAC4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine
SMILESC/N=C1\NC(NC)=CC(N)(NC)N1
InChIInChI=1S/C7H16N6/c1-9-5-4-7(8,11-3)13-6(10-2)12-5/h4,9,11H,8H2,1-3H3,(H2,10,12,13)
InChIKeyTZIZSCNMBJAGFO-UHFFFAOYSA-N
MW184.25 g/mol
LogP-1.94
Rot. Bonds2

About 4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine

4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine (PubChem CID 137197668) has the molecular formula C7H16N6 and a molecular weight of 184.25 g/mol. Its IUPAC name is 4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine.

Molecular Properties

Compound Name4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine
PubChem CID137197668
Molecular FormulaC7H16N6
Molecular Weight184.25 g/mol
Exact Mass184.14
IUPAC Name4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine
SMILESC/N=C1\NC(NC)=CC(N)(NC)N1
InChIInChI=1S/C7H16N6/c1-9-5-4-7(8,11-3)13-6(10-2)12-5/h4,9,11H,8H2,1-3H3,(H2,10,12,13)
InChIKeyTZIZSCNMBJAGFO-UHFFFAOYSA-N
XLogP-1.94
TPSA86.50 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,3-diethyl-2-[[[(E)-1-(ethylamino)but-1-enyl]amino]methyl]guanidine
CID 59899803
4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine
CID 70636497
N-ethyl-1,4-dihydropyrimidin-6-amine
CID 118973305
3-hydroxy-6-N,6-N-dimethyl-2-propylimino-1,6-dihydropyrimidine-4,6-diamine
CID 136455874
N-methyl-3,4-dihydro-1H-pyrimidin-2-imine
CID 138581153
N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide
CID 141139039
2-[4,4-Bis(ethylamino)but-3-enyl]-1,3-diethylguanidine
CID 54188510

Frequently Asked Questions

What is the IUPAC name of 4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine?
The IUPAC name of 4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine (CID 137197668) is 4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine.
What is the SMILES notation for 4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine?
The canonical SMILES for 4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine is C/N=C1\NC(NC)=CC(N)(NC)N1.
What is the InChIKey of 4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine?
The InChIKey is TZIZSCNMBJAGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6/c1-9-5-4-7(8,11-3)13-6(10-2)12-5/h4,9,11H,8H2,1-3H3,(H2,10,12,13).
What are the key properties of 4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine?
4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine has a molecular weight of 184.25 g/mol, XLogP of -1.94, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine is sourced from PubChem (CID 137197668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).