N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C15H24IN3O — CID 110913375

IUPACN-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC(C)Oc1ccc(CCNC2=NCCCN2)cc1.I
InChIInChI=1S/C15H23N3O.HI/c1-12(2)19-14-6-4-13(5-7-14)8-11-18-15-16-9-3-10-17-15;/h4-7,12H,3,8-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyLJJBDLHWBBOWNU-UHFFFAOYSA-N
MW389.28 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110913375) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110913375
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC NameN-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC(C)Oc1ccc(CCNC2=NCCCN2)cc1.I
InChIInChI=1S/C15H23N3O.HI/c1-12(2)19-14-6-4-13(5-7-14)8-11-18-15-16-9-3-10-17-15;/h4-7,12H,3,8-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyLJJBDLHWBBOWNU-UHFFFAOYSA-N
XLogP2.57
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 52.57
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-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914117
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 166241988
N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111465522
N-[2-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 166241763
N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110917745
1-[4-[2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]phenoxy]ethyl]piperazin-1-yl]ethanone
CID 119114739
4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline
CID 60863119
N-[2-(4-chlorophenoxy)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110917439
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914624
N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115611145

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110913375) is N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is CC(C)Oc1ccc(CCNC2=NCCCN2)cc1.I.
What is the InChIKey of N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is LJJBDLHWBBOWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.HI/c1-12(2)19-14-6-4-13(5-7-14)8-11-18-15-16-9-3-10-17-15;/h4-7,12H,3,8-11H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 389.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110913375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).