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

C11H15ClIN3 — CID 110913998

IUPACN-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESClc1cccc(CNC2=NCCCN2)c1.I
InChIInChI=1S/C11H14ClN3.HI/c12-10-4-1-3-9(7-10)8-15-11-13-5-2-6-14-11;/h1,3-4,7H,2,5-6,8H2,(H2,13,14,15);1H
InChIKeyNPCBAORXEUUKJC-UHFFFAOYSA-N
MW351.62 g/mol
LogP2.40
Rot. Bonds2

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

N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110913998) has the molecular formula C11H15ClIN3 and a molecular weight of 351.62 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110913998
Molecular FormulaC11H15ClIN3
Molecular Weight351.62 g/mol
Exact Mass351.00
IUPAC NameN-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESClc1cccc(CNC2=NCCCN2)c1.I
InChIInChI=1S/C11H14ClN3.HI/c12-10-4-1-3-9(7-10)8-15-11-13-5-2-6-14-11;/h1,3-4,7H,2,5-6,8H2,(H2,13,14,15);1H
InChIKeyNPCBAORXEUUKJC-UHFFFAOYSA-N
XLogP2.40
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 52.40
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-[(3-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111425029
3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide
CID 119112709
N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide
CID 110918662
1-[[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one;hydroiodide
CID 110915322
N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 110914967
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide
CID 110916589
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
N-[[2-(4-chlorophenyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110928080
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111414845
N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110916115
N-[(2-chloro-4-iodophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120655374

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110913998) is N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is Clc1cccc(CNC2=NCCCN2)c1.I.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is NPCBAORXEUUKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3.HI/c12-10-4-1-3-9(7-10)8-15-11-13-5-2-6-14-11;/h1,3-4,7H,2,5-6,8H2,(H2,13,14,15);1H.
What are the key properties of N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 351.62 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110913998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).