2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol

C14H19N5O — CID 80914656

IUPAC2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESCc1nc(NN)cc(NC(CO)Cc2ccccc2)n1
InChIInChI=1S/C14H19N5O/c1-10-16-13(8-14(17-10)19-15)18-12(9-20)7-11-5-3-2-4-6-11/h2-6,8,12,20H,7,9,15H2,1H3,(H2,16,17,18,19)
InChIKeyWOGPGUAFDJWKOE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.09
Rot. Bonds6

About 2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol

2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol (PubChem CID 80914656) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
PubChem CID80914656
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESCc1nc(NN)cc(NC(CO)Cc2ccccc2)n1
InChIInChI=1S/C14H19N5O/c1-10-16-13(8-14(17-10)19-15)18-12(9-20)7-11-5-3-2-4-6-11/h2-6,8,12,20H,7,9,15H2,1H3,(H2,16,17,18,19)
InChIKeyWOGPGUAFDJWKOE-UHFFFAOYSA-N
XLogP1.09
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 66325490
2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine
CID 63760552
2-[(4-amino-5-methyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 83265448
6-hydrazinyl-2-methyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80908283
2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80830612
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
CID 80937394
3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol
CID 80813524
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80907050
2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 107874683
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid
CID 122064202
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 80947147

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol (CID 80914656) is 2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol is Cc1nc(NN)cc(NC(CO)Cc2ccccc2)n1.
What is the InChIKey of 2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The InChIKey is WOGPGUAFDJWKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-16-13(8-14(17-10)19-15)18-12(9-20)7-11-5-3-2-4-6-11/h2-6,8,12,20H,7,9,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol has a molecular weight of 273.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 80914656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).