N-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C8H17N3O — CID 20729985

IUPACN-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOCCCNC1=NCCCN1
InChIInChI=1S/C8H17N3O/c1-12-7-3-6-11-8-9-4-2-5-10-8/h2-7H2,1H3,(H2,9,10,11)
InChIKeyXVSXGZYMJNQZGJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.04
Rot. Bonds4

About N-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 20729985) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID20729985
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOCCCNC1=NCCCN1
InChIInChI=1S/C8H17N3O/c1-12-7-3-6-11-8-9-4-2-5-10-8/h2-7H2,1H3,(H2,9,10,11)
InChIKeyXVSXGZYMJNQZGJ-UHFFFAOYSA-N
XLogP-0.04
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[3-(Diaminomethylideneamino)propoxy]propyl]guanidine
CID 176536674
1,2-Dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110914980
2-Methyl-1-propyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111225611
1-Ethyl-2-propyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111226657
1-Ethyl-2-(3-methoxypropyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111547876
1-Ethyl-2-(3-methoxypropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111547877
1-(3-Methoxypropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111547934
1-(3-Methoxypropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111547935
2-(3-Ethoxypropyl)-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778471
1-(3-Ethoxypropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778475
1-(3-Ethoxypropyl)-2-(3-fluoropropyl)guanidine
CID 112333090
1-(3-Methoxypropyl)biguanide monohydrochloride
CID 176541849

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 20729985) is N-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine is COCCCNC1=NCCCN1.
What is the InChIKey of N-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is XVSXGZYMJNQZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-12-7-3-6-11-8-9-4-2-5-10-8/h2-7H2,1H3,(H2,9,10,11).
What are the key properties of N-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 171.24 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 20729985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).