4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol

C15H20N4O — CID 80933216

IUPAC4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCCc1nc(NC)cc(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C15H20N4O/c1-3-13-18-14(16-2)10-15(19-13)17-9-8-11-4-6-12(20)7-5-11/h4-7,10,20H,3,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyDQICLOXRVWZOOQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.44
Rot. Bonds6

About 4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 80933216) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
PubChem CID80933216
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCCc1nc(NC)cc(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C15H20N4O/c1-3-13-18-14(16-2)10-15(19-13)17-9-8-11-4-6-12(20)7-5-11/h4-7,10,20H,3,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyDQICLOXRVWZOOQ-UHFFFAOYSA-N
XLogP2.44
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341
4-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]phenol
CID 80798348
4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939872
6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80933212
2-ethyl-6-N-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80934183
6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 114009544
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368
5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324238
4-N-[2-(dimethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933851
6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80935379
4-N-[2-(diethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933514

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol (CID 80933216) is 4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol is CCc1nc(NC)cc(NCCc2ccc(O)cc2)n1.
What is the InChIKey of 4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is DQICLOXRVWZOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-13-18-14(16-2)10-15(19-13)17-9-8-11-4-6-12(20)7-5-11/h4-7,10,20H,3,8-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 272.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 80933216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).