N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C13H21IN4 — CID 75480286

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCN(C)c1ccc(CNC2=NCCCN2)cc1.I
InChIInChI=1S/C13H20N4.HI/c1-17(2)12-6-4-11(5-7-12)10-16-13-14-8-3-9-15-13;/h4-7H,3,8-10H2,1-2H3,(H2,14,15,16);1H
InChIKeyMLSYSTPWYBQCQR-UHFFFAOYSA-N
MW360.24 g/mol
LogP1.81
Rot. Bonds3

About N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 75480286) has the molecular formula C13H21IN4 and a molecular weight of 360.24 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID75480286
Molecular FormulaC13H21IN4
Molecular Weight360.24 g/mol
Exact Mass360.08
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCN(C)c1ccc(CNC2=NCCCN2)cc1.I
InChIInChI=1S/C13H20N4.HI/c1-17(2)12-6-4-11(5-7-12)10-16-13-14-8-3-9-15-13;/h4-7H,3,8-10H2,1-2H3,(H2,14,15,16);1H
InChIKeyMLSYSTPWYBQCQR-UHFFFAOYSA-N
XLogP1.81
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea
CID 120655377
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112763
N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110916115
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111109738
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111414845
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913998
N-[(6-chloro-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 125422336
N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 126766928
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914624
2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927318

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 75480286) is N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is CN(C)c1ccc(CNC2=NCCCN2)cc1.I.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is MLSYSTPWYBQCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4.HI/c1-17(2)12-6-4-11(5-7-12)10-16-13-14-8-3-9-15-13;/h4-7H,3,8-10H2,1-2H3,(H2,14,15,16);1H.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 360.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 75480286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).