2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol

C14H18N4O — CID 80779813

IUPAC2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCNc1cc(NCC(O)c2ccccc2)nc(C)n1
InChIInChI=1S/C14H18N4O/c1-10-17-13(15-2)8-14(18-10)16-9-12(19)11-6-4-3-5-7-11/h3-8,12,19H,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyMSHITIMJUOZAEX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.97
Rot. Bonds5

About 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol

2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol (PubChem CID 80779813) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
PubChem CID80779813
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCNc1cc(NCC(O)c2ccccc2)nc(C)n1
InChIInChI=1S/C14H18N4O/c1-10-17-13(15-2)8-14(18-10)16-9-12(19)11-6-4-3-5-7-11/h3-8,12,19H,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyMSHITIMJUOZAEX-UHFFFAOYSA-N
XLogP1.97
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779814
3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80851001
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80933367
4-N-(2,2-dimethoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 121206030
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80779208
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80545491
6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine
CID 113230295
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436326
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 114562246
(1R)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1-(2-methoxyphenyl)ethanol
CID 51943081
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-1-phenylethanol
CID 43498862

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
The IUPAC name of 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol (CID 80779813) is 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
The canonical SMILES for 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol is CNc1cc(NCC(O)c2ccccc2)nc(C)n1.
What is the InChIKey of 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
The InChIKey is MSHITIMJUOZAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-17-13(15-2)8-14(18-10)16-9-12(19)11-6-4-3-5-7-11/h3-8,12,19H,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol has a molecular weight of 258.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol is sourced from PubChem (CID 80779813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).