N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide

C13H24IN3 — CID 122125696

IUPACN-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide
SMILESCN1CCCN=C1NC[C@@H]1C[C@H]1C1CCC1.I
InChIInChI=1S/C13H23N3.HI/c1-16-7-3-6-14-13(16)15-9-11-8-12(11)10-4-2-5-10;/h10-12H,2-9H2,1H3,(H,14,15);1H/t11-,12-;/m0./s1
InChIKeyKTOZJWXFYSFUCA-FXMYHANSSA-N
MW349.26 g/mol
LogP2.32
Rot. Bonds3

About N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide

N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide (PubChem CID 122125696) has the molecular formula C13H24IN3 and a molecular weight of 349.26 g/mol. Its IUPAC name is N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide
PubChem CID122125696
Molecular FormulaC13H24IN3
Molecular Weight349.26 g/mol
Exact Mass349.10
IUPAC NameN-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide
SMILESCN1CCCN=C1NC[C@@H]1C[C@H]1C1CCC1.I
InChIInChI=1S/C13H23N3.HI/c1-16-7-3-6-14-13(16)15-9-11-8-12(11)10-4-2-5-10;/h10-12H,2-9H2,1H3,(H,14,15);1H/t11-,12-;/m0./s1
InChIKeyKTOZJWXFYSFUCA-FXMYHANSSA-N
XLogP2.32
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide (CID 122125696) is N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide is CN1CCCN=C1NC[C@@H]1C[C@H]1C1CCC1.I.
What is the InChIKey of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide?
The InChIKey is KTOZJWXFYSFUCA-FXMYHANSSA-N. The full InChI is InChI=1S/C13H23N3.HI/c1-16-7-3-6-14-13(16)15-9-11-8-12(11)10-4-2-5-10;/h10-12H,2-9H2,1H3,(H,14,15);1H/t11-,12-;/m0./s1.
What are the key properties of N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide?
N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide has a molecular weight of 349.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 122125696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).