N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C18H30IN3 — CID 109467637

IUPACN-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC(C)(C)c1ccc(C(C)(C)CNC2=NCCCN2)cc1.I
InChIInChI=1S/C18H29N3.HI/c1-17(2,3)14-7-9-15(10-8-14)18(4,5)13-21-16-19-11-6-12-20-16;/h7-10H,6,11-13H2,1-5H3,(H2,19,20,21);1H
InChIKeyANERGHIKLXSVGK-UHFFFAOYSA-N
MW415.36 g/mol
LogP3.82
Rot. Bonds3

About N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 109467637) has the molecular formula C18H30IN3 and a molecular weight of 415.36 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID109467637
Molecular FormulaC18H30IN3
Molecular Weight415.36 g/mol
Exact Mass415.15
IUPAC NameN-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC(C)(C)c1ccc(C(C)(C)CNC2=NCCCN2)cc1.I
InChIInChI=1S/C18H29N3.HI/c1-17(2,3)14-7-9-15(10-8-14)18(4,5)13-21-16-19-11-6-12-20-16;/h7-10H,6,11-13H2,1-5H3,(H2,19,20,21);1H
InChIKeyANERGHIKLXSVGK-UHFFFAOYSA-N
XLogP3.82
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110935350
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111105589
N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913758
2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine
CID 154341199
N,N-diethyl-1-phenyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide
CID 110913651
N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110928130
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111465522
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110916021
2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide
CID 110913703
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914146

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 109467637) is N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is CC(C)(C)c1ccc(C(C)(C)CNC2=NCCCN2)cc1.I.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is ANERGHIKLXSVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3.HI/c1-17(2,3)14-7-9-15(10-8-14)18(4,5)13-21-16-19-11-6-12-20-16;/h7-10H,6,11-13H2,1-5H3,(H2,19,20,21);1H.
What are the key properties of N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 415.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 109467637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).