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

C14H18N4O — CID 80779514

IUPAC2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCCNc1cc(NCC(O)c2ccccc2)ncn1
InChIInChI=1S/C14H18N4O/c1-2-15-13-8-14(18-10-17-13)16-9-12(19)11-6-4-3-5-7-11/h3-8,10,12,19H,2,9H2,1H3,(H2,15,16,17,18)
InChIKeyGHGKHAVTXSMJEJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.05
Rot. Bonds6

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

2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol (PubChem CID 80779514) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
PubChem CID80779514
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCCNc1cc(NCC(O)c2ccccc2)ncn1
InChIInChI=1S/C14H18N4O/c1-2-15-13-8-14(18-10-17-13)16-9-12(19)11-6-4-3-5-7-11/h3-8,10,12,19H,2,9H2,1H3,(H2,15,16,17,18)
InChIKeyGHGKHAVTXSMJEJ-UHFFFAOYSA-N
XLogP2.05
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol
CID 45242537
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
(1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 143851560
2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963300
2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 163860499
1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol
CID 70963319
2-[[6-(3-butoxyphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963321
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159494
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779813
2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol
CID 143851546
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178960
4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide
CID 68992001

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
The IUPAC name of 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol (CID 80779514) is 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
The canonical SMILES for 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol is CCNc1cc(NCC(O)c2ccccc2)ncn1.
What is the InChIKey of 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
The InChIKey is GHGKHAVTXSMJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-15-13-8-14(18-10-17-13)16-9-12(19)11-6-4-3-5-7-11/h3-8,10,12,19H,2,9H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol?
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol has a molecular weight of 258.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol is sourced from PubChem (CID 80779514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).