4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine

C16H17Cl3N4O2 — CID 46861553

IUPAC4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(-c2cc(OCCN3CCOCC3)c(Cl)cc2Cl)n1
InChIInChI=1S/C16H17Cl3N4O2/c17-11-8-12(18)14(25-6-3-23-1-4-24-5-2-23)7-10(11)13-9-15(19)22-16(20)21-13/h7-9H,1-6H2,(H2,20,21,22)
InChIKeyLOXMPVJOMICPAW-UHFFFAOYSA-N
MW403.70 g/mol
LogP3.40
Rot. Bonds5

About 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine

4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine (PubChem CID 46861553) has the molecular formula C16H17Cl3N4O2 and a molecular weight of 403.70 g/mol. Its IUPAC name is 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
PubChem CID46861553
Molecular FormulaC16H17Cl3N4O2
Molecular Weight403.70 g/mol
Exact Mass402.04
IUPAC Name4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(-c2cc(OCCN3CCOCC3)c(Cl)cc2Cl)n1
InChIInChI=1S/C16H17Cl3N4O2/c17-11-8-12(18)14(25-6-3-23-1-4-24-5-2-23)7-10(11)13-9-15(19)22-16(20)21-13/h7-9H,1-6H2,(H2,20,21,22)
InChIKeyLOXMPVJOMICPAW-UHFFFAOYSA-N
XLogP3.40
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.70
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-[1-(difluoromethyl)-4-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine
CID 166101792
4-[2-(2-chloro-5-iodophenoxy)ethyl]morpholine
CID 122524434
N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline
CID 4978442
3-chloro-4-(3-morpholin-4-ylpropoxy)aniline
CID 123911683
4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine
CID 105486071
[4-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 114322345
5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049314
2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 141177234
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine
CID 154754908
(3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol
CID 142669009
(1R)-1-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 55189907

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine (CID 46861553) is 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine is Nc1nc(Cl)cc(-c2cc(OCCN3CCOCC3)c(Cl)cc2Cl)n1.
What is the InChIKey of 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is LOXMPVJOMICPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl3N4O2/c17-11-8-12(18)14(25-6-3-23-1-4-24-5-2-23)7-10(11)13-9-15(19)22-16(20)21-13/h7-9H,1-6H2,(H2,20,21,22).
What are the key properties of 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine?
4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 403.70 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 46861553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).