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

C13H27IN4 — CID 119112798

IUPACN-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC(C)N1CCCC(CNC2=NCCCN2)C1.I
InChIInChI=1S/C13H26N4.HI/c1-11(2)17-8-3-5-12(10-17)9-16-13-14-6-4-7-15-13;/h11-12H,3-10H2,1-2H3,(H2,14,15,16);1H
InChIKeyNADQRFSVEFTVCK-UHFFFAOYSA-N
MW366.29 g/mol
LogP1.66
Rot. Bonds3

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

N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 119112798) has the molecular formula C13H27IN4 and a molecular weight of 366.29 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID119112798
Molecular FormulaC13H27IN4
Molecular Weight366.29 g/mol
Exact Mass366.13
IUPAC NameN-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC(C)N1CCCC(CNC2=NCCCN2)C1.I
InChIInChI=1S/C13H26N4.HI/c1-11(2)17-8-3-5-12(10-17)9-16-13-14-6-4-7-15-13;/h11-12H,3-10H2,1-2H3,(H2,14,15,16);1H
InChIKeyNADQRFSVEFTVCK-UHFFFAOYSA-N
XLogP1.66
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 119112798) is N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is CC(C)N1CCCC(CNC2=NCCCN2)C1.I.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is NADQRFSVEFTVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4.HI/c1-11(2)17-8-3-5-12(10-17)9-16-13-14-6-4-7-15-13;/h11-12H,3-10H2,1-2H3,(H2,14,15,16);1H.
What are the key properties of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 366.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 119112798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).