[3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol

C20H21ClN4O2 — CID 58467923

IUPAC[3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol
SMILESCOc1cccc(CCNc2nc(Nc3cccc(CO)c3)ncc2Cl)c1
InChIInChI=1S/C20H21ClN4O2/c1-27-17-7-3-4-14(11-17)8-9-22-19-18(21)12-23-20(25-19)24-16-6-2-5-15(10-16)13-26/h2-7,10-12,26H,8-9,13H2,1H3,(H2,22,23,24,25)
InChIKeyFVRWHCXBARLGRB-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.03
Rot. Bonds8

About [3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol

[3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol (PubChem CID 58467923) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is [3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol
PubChem CID58467923
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name[3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol
SMILESCOc1cccc(CCNc2nc(Nc3cccc(CO)c3)ncc2Cl)c1
InChIInChI=1S/C20H21ClN4O2/c1-27-17-7-3-4-14(11-17)8-9-22-19-18(21)12-23-20(25-19)24-16-6-2-5-15(10-16)13-26/h2-7,10-12,26H,8-9,13H2,1H3,(H2,22,23,24,25)
InChIKeyFVRWHCXBARLGRB-UHFFFAOYSA-N
XLogP4.03
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol with MolForge

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Related Compounds

5-chloro-4-N-[3-(3-methoxyphenyl)propyl]-2-N-phenylpyrimidine-2,4-diamine
CID 173107816
5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
CID 141388735
4-N-[2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 59606250
2-[3-[[5-chloro-2-(5-methoxy-2-methylanilino)pyrimidin-4-yl]amino]phenyl]acetonitrile
CID 118908068
5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80788298
5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103738561
2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 154628241
2-N-(3-methoxyphenyl)-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921166
3-N-(3-fluorophenyl)-5-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954201
5-N-(3-chloro-4-methylphenyl)-3-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954282
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889

Frequently Asked Questions

What is the IUPAC name of [3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol?
The IUPAC name of [3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol (CID 58467923) is [3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol.
What is the SMILES notation for [3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol?
The canonical SMILES for [3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol is COc1cccc(CCNc2nc(Nc3cccc(CO)c3)ncc2Cl)c1.
What is the InChIKey of [3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol?
The InChIKey is FVRWHCXBARLGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-27-17-7-3-4-14(11-17)8-9-22-19-18(21)12-23-20(25-19)24-16-6-2-5-15(10-16)13-26/h2-7,10-12,26H,8-9,13H2,1H3,(H2,22,23,24,25).
What are the key properties of [3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol?
[3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol has a molecular weight of 384.87 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol is sourced from PubChem (CID 58467923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).