2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol

C15H19N5O — CID 3013269

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-2-[(2R)-2-hydroxy-2-phenylethyl]guanidine
SMILESCC1=CC(=NC(=N1)NC(=NC[C@@H](C2=CC=CC=C2)O)N)C
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-/m0/s1
InChIKeySIDRXPWELRYDEP-ZDUSSCGKSA-N
MW285.34 g/mol
LogP0.90
Rot. Bonds5

About 2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol

2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol (PubChem CID 3013269) has the molecular formula C15H19N5O and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-2-[(2R)-2-hydroxy-2-phenylethyl]guanidine.

Molecular Properties

Compound Name2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol
PubChem CID3013269
Molecular FormulaC15H19N5O
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-2-[(2R)-2-hydroxy-2-phenylethyl]guanidine
SMILESCC1=CC(=NC(=N1)NC(=NC[C@@H](C2=CC=CC=C2)O)N)C
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-/m0/s1
InChIKeySIDRXPWELRYDEP-ZDUSSCGKSA-N
XLogP0.90
TPSA96.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity333

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.90
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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Related Compounds

Fenyripol Hydrochloride
CID 17118
1-[4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)phenyl]ethan-1-ol
CID 11523411
3-(2,6-Diamino-5-phenyl-pyrimidin-4-yl)-propan-1-ol
CID 11288025
(1R)-1-phenyl-2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 44204624
(1R)-1-phenyl-2-[[6-(4-propan-2-ylphenyl)pyrimidin-4-yl]amino]ethanol
CID 44204626
2-[[6-(3,4-Dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918546
2-[[6-(4-Ethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918569
2-[[6-(4-Tert-butylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918619
1-Phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 70963358
(1R)-2-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 76310795
1-(2-Anilino-6-methyl-4-pyrimidinyl)-2-propanol
CID 57418123
2-Anilino-4-hydroxymethyl-6-cyclopropylpyrimidine
CID 19874094

Frequently Asked Questions

What is the IUPAC name of 2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol?
The IUPAC name of 2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol (CID 3013269) is 1-(4,6-dimethylpyrimidin-2-yl)-2-[(2R)-2-hydroxy-2-phenylethyl]guanidine.
What is the SMILES notation for 2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol?
The canonical SMILES for 2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol is CC1=CC(=NC(=N1)NC(=NC[C@@H](C2=CC=CC=C2)O)N)C.
What is the InChIKey of 2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol?
The InChIKey is SIDRXPWELRYDEP-ZDUSSCGKSA-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-/m0/s1.
What are the key properties of 2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol?
2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol has a molecular weight of 285.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol is sourced from PubChem (CID 3013269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).