N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C14H21IN4O — CID 110917761

IUPACN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESI.c1cc(OCC2CC2)ncc1CNC1=NCCCN1
InChIInChI=1S/C14H20N4O.HI/c1-6-15-14(16-7-1)18-9-12-4-5-13(17-8-12)19-10-11-2-3-11;/h4-5,8,11H,1-3,6-7,9-10H2,(H2,15,16,18);1H
InChIKeyJCYSGOXQIDAFPK-UHFFFAOYSA-N
MW388.25 g/mol
LogP1.93
Rot. Bonds5

About N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110917761) has the molecular formula C14H21IN4O and a molecular weight of 388.25 g/mol. Its IUPAC name is N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110917761
Molecular FormulaC14H21IN4O
Molecular Weight388.25 g/mol
Exact Mass388.08
IUPAC NameN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESI.c1cc(OCC2CC2)ncc1CNC1=NCCCN1
InChIInChI=1S/C14H20N4O.HI/c1-6-15-14(16-7-1)18-9-12-4-5-13(17-8-12)19-10-11-2-3-11;/h4-5,8,11H,1-3,6-7,9-10H2,(H2,15,16,18);1H
InChIKeyJCYSGOXQIDAFPK-UHFFFAOYSA-N
XLogP1.93
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
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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Frequently Asked Questions

What is the IUPAC name of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110917761) is N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is I.c1cc(OCC2CC2)ncc1CNC1=NCCCN1.
What is the InChIKey of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is JCYSGOXQIDAFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.HI/c1-6-15-14(16-7-1)18-9-12-4-5-13(17-8-12)19-10-11-2-3-11;/h4-5,8,11H,1-3,6-7,9-10H2,(H2,15,16,18);1H.
What are the key properties of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 388.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110917761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).