N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C11H22IN3O — CID 120967393

IUPACN-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC1COCCC1CNC1=NCCCN1.I
InChIInChI=1S/C11H21N3O.HI/c1-9-8-15-6-3-10(9)7-14-11-12-4-2-5-13-11;/h9-10H,2-8H2,1H3,(H2,12,13,14);1H
InChIKeyCHBISJUUUCYHIM-UHFFFAOYSA-N
MW339.22 g/mol
LogP1.22
Rot. Bonds2

About N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 120967393) has the molecular formula C11H22IN3O and a molecular weight of 339.22 g/mol. Its IUPAC name is N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID120967393
Molecular FormulaC11H22IN3O
Molecular Weight339.22 g/mol
Exact Mass339.08
IUPAC NameN-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC1COCCC1CNC1=NCCCN1.I
InChIInChI=1S/C11H21N3O.HI/c1-9-8-15-6-3-10(9)7-14-11-12-4-2-5-13-11;/h9-10H,2-8H2,1H3,(H2,12,13,14);1H
InChIKeyCHBISJUUUCYHIM-UHFFFAOYSA-N
XLogP1.22
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120513608
N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111428530
N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918244
N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110915612
2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclohexan-1-ol
CID 115645077
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112798
N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 115601377
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110915291
N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111465883
2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine
CID 110915360
N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111111455
2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol
CID 111722649

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 120967393) is N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is CC1COCCC1CNC1=NCCCN1.I.
What is the InChIKey of N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is CHBISJUUUCYHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.HI/c1-9-8-15-6-3-10(9)7-14-11-12-4-2-5-13-11;/h9-10H,2-8H2,1H3,(H2,12,13,14);1H.
What are the key properties of N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 339.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 120967393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).