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

C15H19N5 — CID 6850937

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine
SMILESCc1cc(C)nc(N/C(N)=N/[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C15H19N5/c1-10-9-11(2)18-15(17-10)20-14(16)19-12(3)13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H3,16,17,18,19,20)/t12-/m0/s1
InChIKeyAJTBWVSZFCBVQL-LBPRGKRZSA-N
MW269.35 g/mol
LogP2.58
Rot. Bonds3

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

1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine (PubChem CID 6850937) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine
PubChem CID6850937
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine
SMILESCc1cc(C)nc(N/C(N)=N/[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C15H19N5/c1-10-9-11(2)18-15(17-10)20-14(16)19-12(3)13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H3,16,17,18,19,20)/t12-/m0/s1
InChIKeyAJTBWVSZFCBVQL-LBPRGKRZSA-N
XLogP2.58
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
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-(4,6-dimethylpyrimidin-2-yl)-2-(2-phenylpropyl)guanidine
CID 78298572
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine
CID 142888276
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine
CID 114159092
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 2947810
1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine
CID 54410144
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 66508239
1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
CID 3013275
(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 40554986
1-amino-2-[1-(4-methylphenyl)ethyl]guanidine
CID 64866886
propyl N-[N'-[(1R)-1-phenylethyl]carbamimidoyl]carbamate
CID 102405202

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine (CID 6850937) is 1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine is Cc1cc(C)nc(N/C(N)=N/[C@@H](C)c2ccccc2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine?
The InChIKey is AJTBWVSZFCBVQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5/c1-10-9-11(2)18-15(17-10)20-14(16)19-12(3)13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H3,16,17,18,19,20)/t12-/m0/s1.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine?
1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine has a molecular weight of 269.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine is sourced from PubChem (CID 6850937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).