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

C15H19N3O2 — CID 66325490

IUPAC2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESCOc1cc(NC(CO)Cc2ccccc2)nc(C)n1
InChIInChI=1S/C15H19N3O2/c1-11-16-14(9-15(17-11)20-2)18-13(10-19)8-12-6-4-3-5-7-12/h3-7,9,13,19H,8,10H2,1-2H3,(H,16,17,18)
InChIKeyLCKHORRUYXYFCV-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.81
Rot. Bonds6

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

2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol (PubChem CID 66325490) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
PubChem CID66325490
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESCOc1cc(NC(CO)Cc2ccccc2)nc(C)n1
InChIInChI=1S/C15H19N3O2/c1-11-16-14(9-15(17-11)20-2)18-13(10-19)8-12-6-4-3-5-7-12/h3-7,9,13,19H,8,10H2,1-2H3,(H,16,17,18)
InChIKeyLCKHORRUYXYFCV-UHFFFAOYSA-N
XLogP1.81
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80914656
2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine
CID 63760552
N-[1-(4-fluorophenyl)propan-2-yl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326924
[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232135
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114177062
2-[(4-amino-5-methyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 83265448
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326076
3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol
CID 80813524
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 66324648
4,6-dimethoxy-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 115355116
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione
CID 90665606

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol (CID 66325490) is 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol is COc1cc(NC(CO)Cc2ccccc2)nc(C)n1.
What is the InChIKey of 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The InChIKey is LCKHORRUYXYFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-16-14(9-15(17-11)20-2)18-13(10-19)8-12-6-4-3-5-7-12/h3-7,9,13,19H,8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol has a molecular weight of 273.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 66325490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).