N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide

C11H21IN6 — CID 122125624

IUPACN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide
SMILESCCn1nc(C)c(CNC2=NCCCN2C)n1.I
InChIInChI=1S/C11H20N6.HI/c1-4-17-14-9(2)10(15-17)8-13-11-12-6-5-7-16(11)3;/h4-8H2,1-3H3,(H,12,13);1H
InChIKeyCZODTRRYWXOMMK-UHFFFAOYSA-N
MW364.24 g/mol
LogP1.01
Rot. Bonds3

About N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide

N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide (PubChem CID 122125624) has the molecular formula C11H21IN6 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide
PubChem CID122125624
Molecular FormulaC11H21IN6
Molecular Weight364.24 g/mol
Exact Mass364.09
IUPAC NameN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide
SMILESCCn1nc(C)c(CNC2=NCCCN2C)n1.I
InChIInChI=1S/C11H20N6.HI/c1-4-17-14-9(2)10(15-17)8-13-11-12-6-5-7-16(11)3;/h4-8H2,1-3H3,(H,12,13);1H
InChIKeyCZODTRRYWXOMMK-UHFFFAOYSA-N
XLogP1.01
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide (CID 122125624) is N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide is CCn1nc(C)c(CNC2=NCCCN2C)n1.I.
What is the InChIKey of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide?
The InChIKey is CZODTRRYWXOMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6.HI/c1-4-17-14-9(2)10(15-17)8-13-11-12-6-5-7-16(11)3;/h4-8H2,1-3H3,(H,12,13);1H.
What are the key properties of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide?
N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide has a molecular weight of 364.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 122125624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).