2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine

C5H11N5 — CID 55291531

IUPAC2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine
SMILESNC(N)=NC1=NCCCN1
InChIInChI=1S/C5H11N5/c6-4(7)10-5-8-2-1-3-9-5/h1-3H2,(H5,6,7,8,9,10)
InChIKeyYWJMSABIIUPHRO-UHFFFAOYSA-N
MW141.18 g/mol
LogP-1.39
Rot. Bonds

About 2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine

2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine (PubChem CID 55291531) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine
PubChem CID55291531
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine
SMILESNC(N)=NC1=NCCCN1
InChIInChI=1S/C5H11N5/c6-4(7)10-5-8-2-1-3-9-5/h1-3H2,(H5,6,7,8,9,10)
InChIKeyYWJMSABIIUPHRO-UHFFFAOYSA-N
XLogP-1.39
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,4,5,6-Tetrahydropyrimidine
CID 137105
1,4,5,6-Tetrahydropyrimidin-2-amine
CID 3287412
1,4,5,6-Tetrahydropyrimidine hydrochloride
CID 21645510
N-(4-Aminobutyl)-N'-methylguanidine
CID 196509
N-(4-carbamimidamidobutyl)guanidine
CID 176519214
Biguanide, 1-propyl-, monohydrochloride
CID 9570361
Imeglimin [who-DD]
CID 176524251
5-Methyl-1,4,5,6-tetrahydropyrimidin-2-amine hydrochloride
CID 17851080
1,3-Diazinan-2-imine hydrochloride
CID 22557527
1-Butyl-3-(diaminomethylidene)guanidine
CID 176521725
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide
CID 49796250
4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 213369

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine?
The IUPAC name of 2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine (CID 55291531) is 2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine?
The canonical SMILES for 2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine is NC(N)=NC1=NCCCN1.
What is the InChIKey of 2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine?
The InChIKey is YWJMSABIIUPHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c6-4(7)10-5-8-2-1-3-9-5/h1-3H2,(H5,6,7,8,9,10).
What are the key properties of 2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine?
2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine has a molecular weight of 141.18 g/mol, XLogP of -1.39, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine is sourced from PubChem (CID 55291531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).