1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine

C15H19N5O — CID 6480066

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine
SMILESCc1cc(C)nc(N/C(N)=N/C[C@@H](O)c2ccccc2)n1
InChIInChI=1S/C15H19N5O/c1-10-8-11(2)19-15(18-10)20-14(16)17-9-13(21)12-6-4-3-5-7-12/h3-8,13,21H,9H2,1-2H3,(H3,16,17,18,19,20)/t13-/m1/s1
InChIKeySIDRXPWELRYDEP-CYBMUJFWSA-N
MW285.35 g/mol
LogP1.55
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine

1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine (PubChem CID 6480066) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine
PubChem CID6480066
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine
SMILESCc1cc(C)nc(N/C(N)=N/C[C@@H](O)c2ccccc2)n1
InChIInChI=1S/C15H19N5O/c1-10-8-11(2)19-15(18-10)20-14(16)17-9-13(21)12-6-4-3-5-7-12/h3-8,13,21H,9H2,1-2H3,(H3,16,17,18,19,20)/t13-/m1/s1
InChIKeySIDRXPWELRYDEP-CYBMUJFWSA-N
XLogP1.55
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(2S)-2-hydroxy-2-phenylethyl]guanidine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine (CID 6480066) is 1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine is Cc1cc(C)nc(N/C(N)=N/C[C@@H](O)c2ccccc2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine?
The InChIKey is SIDRXPWELRYDEP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-8-11(2)19-15(18-10)20-14(16)17-9-13(21)12-6-4-3-5-7-12/h3-8,13,21H,9H2,1-2H3,(H3,16,17,18,19,20)/t13-/m1/s1.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine?
1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine has a molecular weight of 285.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-2-[(2S)-2-hydroxy-2-phenylethyl]guanidine is sourced from PubChem (CID 6480066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).