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

C16H25IN4 — CID 111337607

IUPACN-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESI.c1ccc(CN2CCCC2CNC2=NCCCN2)cc1
InChIInChI=1S/C16H24N4.HI/c1-2-6-14(7-3-1)13-20-11-4-8-15(20)12-19-16-17-9-5-10-18-16;/h1-3,6-7,15H,4-5,8-13H2,(H2,17,18,19);1H
InChIKeySCVIDWZUPCTRTK-UHFFFAOYSA-N
MW400.31 g/mol
LogP2.21
Rot. Bonds4

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

N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 111337607) has the molecular formula C16H25IN4 and a molecular weight of 400.31 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID111337607
Molecular FormulaC16H25IN4
Molecular Weight400.31 g/mol
Exact Mass400.11
IUPAC NameN-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESI.c1ccc(CN2CCCC2CNC2=NCCCN2)cc1
InChIInChI=1S/C16H24N4.HI/c1-2-6-14(7-3-1)13-20-11-4-8-15(20)12-19-16-17-9-5-10-18-16;/h1-3,6-7,15H,4-5,8-13H2,(H2,17,18,19);1H
InChIKeySCVIDWZUPCTRTK-UHFFFAOYSA-N
XLogP2.21
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 52.21
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-[(4-benzylthiomorpholin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120513493
N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120967430
N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111111455
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110925548
6-[(1-benzylpyrrolidin-2-yl)methylamino]pyridine-2-carbonitrile
CID 133304440
1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine
CID 111337614
(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111
[1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 82247848
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[2-(diethylamino)ethyl]-2-methylguanidine;hydroiodide
CID 111583027
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 111337607) is N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is I.c1ccc(CN2CCCC2CNC2=NCCCN2)cc1.
What is the InChIKey of N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is SCVIDWZUPCTRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4.HI/c1-2-6-14(7-3-1)13-20-11-4-8-15(20)12-19-16-17-9-5-10-18-16;/h1-3,6-7,15H,4-5,8-13H2,(H2,17,18,19);1H.
What are the key properties of N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 400.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 111337607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).