1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine

C13H22N6O — CID 3145920

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
SMILESCc1cc(C)nc(N/C(N)=N/CCN2CCOCC2)n1
InChIInChI=1S/C13H22N6O/c1-10-9-11(2)17-13(16-10)18-12(14)15-3-4-19-5-7-20-8-6-19/h9H,3-8H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyNFGPWRSTEZSDFC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.15
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine

1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine (PubChem CID 3145920) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
PubChem CID3145920
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
SMILESCc1cc(C)nc(N/C(N)=N/CCN2CCOCC2)n1
InChIInChI=1S/C13H22N6O/c1-10-9-11(2)17-13(16-10)18-12(14)15-3-4-19-5-7-20-8-6-19/h9H,3-8H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyNFGPWRSTEZSDFC-UHFFFAOYSA-N
XLogP0.15
TPSA88.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine (CID 3145920) is 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine is Cc1cc(C)nc(N/C(N)=N/CCN2CCOCC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is NFGPWRSTEZSDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-10-9-11(2)17-13(16-10)18-12(14)15-3-4-19-5-7-20-8-6-19/h9H,3-8H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine?
1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 278.36 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 3145920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).