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

C14H18N4O — CID 80933367

IUPAC2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol
SMILESCCc1nc(N)cc(NCC(O)c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-2-13-17-12(15)8-14(18-13)16-9-11(19)10-6-4-3-5-7-10/h3-8,11,19H,2,9H2,1H3,(H3,15,16,17,18)
InChIKeyQOSFKPWEWSEOCU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.77
Rot. Bonds5

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

2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol (PubChem CID 80933367) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol
PubChem CID80933367
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol
SMILESCCc1nc(N)cc(NCC(O)c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-2-13-17-12(15)8-14(18-13)16-9-11(19)10-6-4-3-5-7-10/h3-8,11,19H,2,9H2,1H3,(H3,15,16,17,18)
InChIKeyQOSFKPWEWSEOCU-UHFFFAOYSA-N
XLogP1.77
TPSA84.06 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 ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779813
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80545491
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-1-phenylethanol
CID 43498862
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
2-ethyl-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80941044
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104925423
4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one
CID 136979168
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 114562246
2-cyclopropyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592592
4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80949951
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80779208

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol (CID 80933367) is 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol is CCc1nc(N)cc(NCC(O)c2ccccc2)n1.
What is the InChIKey of 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol?
The InChIKey is QOSFKPWEWSEOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-13-17-12(15)8-14(18-13)16-9-11(19)10-6-4-3-5-7-10/h3-8,11,19H,2,9H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol?
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol has a molecular weight of 258.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol is sourced from PubChem (CID 80933367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).