5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine

C20H21ClN4O — CID 15713601

IUPAC5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(CC)c2ccc(Oc3cccnc3)cc2)c1Cl
InChIInChI=1S/C20H21ClN4O/c1-3-17(25-20-19(21)18(4-2)23-13-24-20)14-7-9-15(10-8-14)26-16-6-5-11-22-12-16/h5-13,17H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyBKUFLCZPUXRBPQ-UHFFFAOYSA-N
MW368.87 g/mol
LogP5.44
Rot. Bonds7

About 5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine

5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine (PubChem CID 15713601) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine
PubChem CID15713601
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine
SMILESCCc1ncnc(NC(CC)c2ccc(Oc3cccnc3)cc2)c1Cl
InChIInChI=1S/C20H21ClN4O/c1-3-17(25-20-19(21)18(4-2)23-13-24-20)14-7-9-15(10-8-14)26-16-6-5-11-22-12-16/h5-13,17H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyBKUFLCZPUXRBPQ-UHFFFAOYSA-N
XLogP5.44
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine
CID 11561538
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
6-chloro-5-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 11213970
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032
[3-Ethoxy-5-(3-fluoro-phenyl)-pyridin-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 11267265
(5-Ethoxy-4''-methyl-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11347767
(3-Benzyloxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11369816
5''-Ethoxy-6''-(6-methyl-pyridin-2-ylamino)-[3,3'']bipyridinyl-2-carbonitrile
CID 11370949
(S)-6-Chloro-5-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-2-(pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 11397947
6-chloro-5-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-2-pyrazin-2-yl-N-[(1S)-2,2,2-trifluoro-1-methylethyl]pyrimidin-4-amine
CID 11443470
2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-5-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-yloxy)ethanol
CID 11642048

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine (CID 15713601) is 5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine is CCc1ncnc(NC(CC)c2ccc(Oc3cccnc3)cc2)c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine?
The InChIKey is BKUFLCZPUXRBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-3-17(25-20-19(21)18(4-2)23-13-24-20)14-7-9-15(10-8-14)26-16-6-5-11-22-12-16/h5-13,17H,3-4H2,1-2H3,(H,23,24,25).
What are the key properties of 5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine?
5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine has a molecular weight of 368.87 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-N-[1-(4-pyridin-3-yloxyphenyl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 15713601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).