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

C14H18IN5 — CID 110916115

IUPACN-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESI.c1cnn(-c2ccc(CNC3=NCCCN3)cc2)c1
InChIInChI=1S/C14H17N5.HI/c1-7-15-14(16-8-1)17-11-12-3-5-13(6-4-12)19-10-2-9-18-19;/h2-6,9-10H,1,7-8,11H2,(H2,15,16,17);1H
InChIKeyYEUFKNRDRYJOGJ-UHFFFAOYSA-N
MW383.24 g/mol
LogP1.93
Rot. Bonds3

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

N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110916115) has the molecular formula C14H18IN5 and a molecular weight of 383.24 g/mol. Its IUPAC name is N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110916115
Molecular FormulaC14H18IN5
Molecular Weight383.24 g/mol
Exact Mass383.06
IUPAC NameN-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESI.c1cnn(-c2ccc(CNC3=NCCCN3)cc2)c1
InChIInChI=1S/C14H17N5.HI/c1-7-15-14(16-8-1)17-11-12-3-5-13(6-4-12)19-10-2-9-18-19;/h2-6,9-10H,1,7-8,11H2,(H2,15,16,17);1H
InChIKeyYEUFKNRDRYJOGJ-UHFFFAOYSA-N
XLogP1.93
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110917931
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111109738
1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 110914080
N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 126766928
N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913998
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111912600
N-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-amine
CID 83006670
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914624
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane
CID 158896039

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110916115) is N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is I.c1cnn(-c2ccc(CNC3=NCCCN3)cc2)c1.
What is the InChIKey of N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is YEUFKNRDRYJOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5.HI/c1-7-15-14(16-8-1)17-11-12-3-5-13(6-4-12)19-10-2-9-18-19;/h2-6,9-10H,1,7-8,11H2,(H2,15,16,17);1H.
What are the key properties of N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 383.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110916115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).