4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol

C13H15ClN4O — CID 80797848

IUPAC4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCNc1ncc(Cl)c(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C13H15ClN4O/c1-15-13-17-8-11(14)12(18-13)16-7-6-9-2-4-10(19)5-3-9/h2-5,8,19H,6-7H2,1H3,(H2,15,16,17,18)
InChIKeyPWOUCSIFURVERX-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.53
Rot. Bonds5

About 4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 80797848) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
PubChem CID80797848
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCNc1ncc(Cl)c(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C13H15ClN4O/c1-15-13-17-8-11(14)12(18-13)16-7-6-9-2-4-10(19)5-3-9/h2-5,8,19H,6-7H2,1H3,(H2,15,16,17,18)
InChIKeyPWOUCSIFURVERX-UHFFFAOYSA-N
XLogP2.53
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898809
4-N-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80794050
5-bromo-4-N-[2-(4-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80794844
5-chloro-2-N-methyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80849598
5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80791754
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787750
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828020
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]phenol
CID 79076702
5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80822914
4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248775

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol (CID 80797848) is 4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol is CNc1ncc(Cl)c(NCCc2ccc(O)cc2)n1.
What is the InChIKey of 4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is PWOUCSIFURVERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-15-13-17-8-11(14)12(18-13)16-7-6-9-2-4-10(19)5-3-9/h2-5,8,19H,6-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 278.74 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 80797848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).