2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol

C15H20N4O — CID 80779814

IUPAC2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCNc1nc(C)nc(NCC(O)c2ccccc2)c1C
InChIInChI=1S/C15H20N4O/c1-10-14(16-3)18-11(2)19-15(10)17-9-13(20)12-7-5-4-6-8-12/h4-8,13,20H,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyMTERMTJIZXYNMK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.28
Rot. Bonds5

About 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol

2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol (PubChem CID 80779814) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
PubChem CID80779814
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCNc1nc(C)nc(NCC(O)c2ccccc2)c1C
InChIInChI=1S/C15H20N4O/c1-10-14(16-3)18-11(2)19-15(10)17-9-13(20)12-7-5-4-6-8-12/h4-8,13,20H,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyMTERMTJIZXYNMK-UHFFFAOYSA-N
XLogP2.28
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
The IUPAC name of 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol (CID 80779814) is 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
The canonical SMILES for 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol is CNc1nc(C)nc(NCC(O)c2ccccc2)c1C.
What is the InChIKey of 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
The InChIKey is MTERMTJIZXYNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-14(16-3)18-11(2)19-15(10)17-9-13(20)12-7-5-4-6-8-12/h4-8,13,20H,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol has a molecular weight of 272.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol is sourced from PubChem (CID 80779814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).