N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C14H22IN3O — CID 111465522

IUPACN-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCc1ccc(OC(C)CNC2=NCCCN2)cc1.I
InChIInChI=1S/C14H21N3O.HI/c1-11-4-6-13(7-5-11)18-12(2)10-17-14-15-8-3-9-16-14;/h4-7,12H,3,8-10H2,1-2H3,(H2,15,16,17);1H
InChIKeyXZBAUVRQJRPATI-UHFFFAOYSA-N
MW375.25 g/mol
LogP2.32
Rot. Bonds4

About N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 111465522) has the molecular formula C14H22IN3O and a molecular weight of 375.25 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID111465522
Molecular FormulaC14H22IN3O
Molecular Weight375.25 g/mol
Exact Mass375.08
IUPAC NameN-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCc1ccc(OC(C)CNC2=NCCCN2)cc1.I
InChIInChI=1S/C14H21N3O.HI/c1-11-4-6-13(7-5-11)18-12(2)10-17-14-15-8-3-9-16-14;/h4-7,12H,3,8-10H2,1-2H3,(H2,15,16,17);1H
InChIKeyXZBAUVRQJRPATI-UHFFFAOYSA-N
XLogP2.32
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 52.32
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-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913375
N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110928130
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914146
2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine
CID 110915360
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112673
(1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol
CID 120580394
1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide
CID 75418967
N-[2-(4-chlorophenoxy)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110917439
6-methyl-N-[2-(4-methylphenoxy)propyl]pyridin-2-amine
CID 133483616
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110936875
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112763
3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline
CID 46736318

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 111465522) is N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is Cc1ccc(OC(C)CNC2=NCCCN2)cc1.I.
What is the InChIKey of N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is XZBAUVRQJRPATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.HI/c1-11-4-6-13(7-5-11)18-12(2)10-17-14-15-8-3-9-16-14;/h4-7,12H,3,8-10H2,1-2H3,(H2,15,16,17);1H.
What are the key properties of N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 375.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 111465522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).