4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol

C16H20ClN3O — CID 80979409

IUPAC4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol
SMILESCc1c(Cl)nc(C(C)C)nc1NCCc1ccc(O)cc1
InChIInChI=1S/C16H20ClN3O/c1-10(2)15-19-14(17)11(3)16(20-15)18-9-8-12-4-6-13(21)7-5-12/h4-7,10,21H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyMCMGCRHDYYULOB-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.92
Rot. Bonds5

About 4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol

4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 80979409) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol
PubChem CID80979409
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol
SMILESCc1c(Cl)nc(C(C)C)nc1NCCc1ccc(O)cc1
InChIInChI=1S/C16H20ClN3O/c1-10(2)15-19-14(17)11(3)16(20-15)18-9-8-12-4-6-13(21)7-5-12/h4-7,10,21H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyMCMGCRHDYYULOB-UHFFFAOYSA-N
XLogP3.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol with MolForge

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Related Compounds

6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106038517
6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970081
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106842904
6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106193809
6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980846
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
6-chloro-5-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80971193
6-chloro-5-methyl-N-(2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-amine
CID 106196742
N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80971344
3-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311301
6-chloro-N-(3-ethylsulfanylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114248421

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol (CID 80979409) is 4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol is Cc1c(Cl)nc(C(C)C)nc1NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is MCMGCRHDYYULOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-10(2)15-19-14(17)11(3)16(20-15)18-9-8-12-4-6-13(21)7-5-12/h4-7,10,21H,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of 4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol?
4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 305.81 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 80979409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).