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

C16H31IN4 — CID 111111455

IUPACN-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESC1CCC(CN2CCCC2CNC2=NCCCN2)CC1.I
InChIInChI=1S/C16H30N4.HI/c1-2-6-14(7-3-1)13-20-11-4-8-15(20)12-19-16-17-9-5-10-18-16;/h14-15H,1-13H2,(H2,17,18,19);1H
InChIKeyGMJYVYABUYOZTA-UHFFFAOYSA-N
MW406.36 g/mol
LogP2.59
Rot. Bonds4

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

N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 111111455) has the molecular formula C16H31IN4 and a molecular weight of 406.36 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID111111455
Molecular FormulaC16H31IN4
Molecular Weight406.36 g/mol
Exact Mass406.16
IUPAC NameN-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESC1CCC(CN2CCCC2CNC2=NCCCN2)CC1.I
InChIInChI=1S/C16H30N4.HI/c1-2-6-14(7-3-1)13-20-11-4-8-15(20)12-19-16-17-9-5-10-18-16;/h14-15H,1-13H2,(H2,17,18,19);1H
InChIKeyGMJYVYABUYOZTA-UHFFFAOYSA-N
XLogP2.59
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 52.59
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-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120967430
N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111337607
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112798
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112799
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112567
N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110915612
N-[(4-benzylthiomorpholin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120513493
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
CID 110918477
1-[1-(cyclopropylmethyl)piperidin-2-yl]-N-methylmethanamine
CID 62541663
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110915291
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 78909269

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 111111455) is N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is C1CCC(CN2CCCC2CNC2=NCCCN2)CC1.I.
What is the InChIKey of N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is GMJYVYABUYOZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4.HI/c1-2-6-14(7-3-1)13-20-11-4-8-15(20)12-19-16-17-9-5-10-18-16;/h14-15H,1-13H2,(H2,17,18,19);1H.
What are the key properties of N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 406.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 111111455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).